# Structure of O3 obtained in a Molecular Orbital calculation
#
#  Input: Bond-Length is  1.203158 [A] =  2.273640 [a.u.]
#         Bond-Angle  is  119.1624 [deg]
#
#  used theory/functional name is RPA
#
#  used Basis set name is 6-31+Gx
#   (We use 5 solid spherical harmonics for D)
#
#  number of shell = 15,  number of shell pair =  120
#  number of basis = 54,  number of basis pair = 1485
#
#  SCF iterations at most:   HF_Atom =  48,       HF_Mole =  96
#  Damping factor at SCF:    HF_Atom = 0.50,      HF_Mole = 0.50
#  Cond. of Ene converge:    HF_Atom = 1.E-07,    HF_Mole = 1.E-07 [eV]
#  Cond. of RMS converge:    HF_Atom = 1.E-08,    HF_Mole = 1.E-08
#
#  SCF iterations at most:   KS_Atom =   0,       KS_Mole =   0
#  Damping factor at SCF:    KS_Atom = 0.50,      KS_Mole = 0.30
#  Cond. of Ene converge:    KS_Atom = 1.E-07,    KS_Mole = 1.E-07 [eV]
#  Cond. of RMS converge:    KS_Atom = 1.E-08,    KS_Mole = 1.E-08
#
#  Number of alpha, beta, and total electrons: 12 + 12 = 24
#  Number of atoms: 3
#
#  Position of atom                                       Z_atom
#   (   0.0000000000   0.0000000000   0.4061194640 ) [A]     8
#   (   0.0000000000   1.0375406508  -0.2030597320 ) [A]     8
#   (   0.0000000000  -1.0375406508  -0.2030597320 ) [A]     8
#
#
# Electron mass = 510.99892730  [keV]
# Coupling Constant = 137.0359990740 ^-1
# hbar*c =  1973.26971700 [eV.A]
#
# 1 [eV] = 96.48533646 [kJ/mol] = 23.06054887 [kcal/mol]
# kB*298.15[K] = 0.025692579 [eV] = 0.592484976 [kcal/mol]
#
# Bohr radius  =   0.5291772109 [A]
# Hartree unit =  27.2113850412 [eV]
#
#
# Atom energies in the theory and basis-set
#   1-th, O  :  -2035.03703618 [eV] =   -74.786234993 [a.u.]
#
#
# Position of atoms [A] at the beginning
#   1-th atom  (     0.000000    0.000000    0.406119 )
#   2-th atom  (     0.000000    1.037541   -0.203060 )
#   3-th atom  (     0.000000   -1.037541   -0.203060 )
# Gradient of Emol x(-1) [eV/A]
#   1-th atom  (     0.000000    0.000000   -0.000006 )
#   2-th atom  (     0.000000   -0.000007    0.000003 )
#   3-th atom  (     0.000000    0.000007    0.000003 )
# Emol =    -6102.628607056 [eV]
#
# Position of atoms [A] after exploration 1-th 
#   1-th atom  (     0.000000    0.000000    0.406119 )
#   2-th atom  (     0.000000    1.037541   -0.203060 )
#   3-th atom  (     0.000000   -1.037541   -0.203060 )
# Gradient of Emol x(-1) [eV/A]
#   1-th atom  (     0.000000    0.000000   -0.000005 )
#   2-th atom  (     0.000000   -0.000006    0.000002 )
#   3-th atom  (     0.000000    0.000006    0.000002 )
# Emol =    -6102.628607057 [eV]
#
# Position of atoms [A] after exploration 2-th 
#   1-th atom  (     0.000000    0.000000    0.406119 )
#   2-th atom  (     0.000000    1.037541   -0.203060 )
#   3-th atom  (     0.000000   -1.037541   -0.203060 )
# Gradient of Emol x(-1) [eV/A]
#   1-th atom  (     0.000000    0.000000   -0.000005 )
#   2-th atom  (     0.000000   -0.000006    0.000002 )
#   3-th atom  (     0.000000    0.000006    0.000002 )
# Emol =    -6102.628607057 [eV]
#
# Position of atoms [A] after exploration 3-th 
#   1-th atom  (     0.000000    0.000000    0.406119 )
#   2-th atom  (     0.000000    1.037541   -0.203060 )
#   3-th atom  (     0.000000   -1.037541   -0.203060 )
# Gradient of Emol x(-1) [eV/A]
#   1-th atom  (     0.000000    0.000000   -0.000005 )
#   2-th atom  (     0.000000   -0.000006    0.000002 )
#   3-th atom  (     0.000000    0.000006    0.000002 )
# Emol =    -6102.628607057 [eV]
#
# Position of atoms [A] after exploration 4-th 
#   1-th atom  (     0.000000    0.000000    0.406119 )
#   2-th atom  (     0.000000    1.037541   -0.203060 )
#   3-th atom  (     0.000000   -1.037541   -0.203060 )
# Gradient of Emol x(-1) [eV/A]
#   1-th atom  (     0.000000    0.000000   -0.000005 )
#   2-th atom  (     0.000000   -0.000006    0.000002 )
#   3-th atom  (     0.000000    0.000006    0.000002 )
# Emol =    -6102.628607057 [eV]
#
# Position of atoms [A] after exploration 5-th 
#   1-th atom  (     0.000000    0.000000    0.406119 )
#   2-th atom  (     0.000000    1.037541   -0.203060 )
#   3-th atom  (     0.000000   -1.037541   -0.203060 )
# Gradient of Emol x(-1) [eV/A]
#   1-th atom  (     0.000000    0.000000   -0.000005 )
#   2-th atom  (     0.000000   -0.000006    0.000002 )
#   3-th atom  (     0.000000    0.000006    0.000002 )
# Emol =    -6102.628607057 [eV]
#
#  Final: Bond-Length is  1.203158 [A] =  2.273640 [a.u.]
#         Bond-Angle  is  119.1624 [deg]
#
#
# Non-linear Molecule, Symmetry Number = 2
#
# Molecular weight
#     47.998200 [amu] =    44.710039 [GeV/c^2]
#
# Rotational constants [1/cm]
#      4.2588657      0.4893872      0.4389476
#
#
# Total electron energy
#  Eele =    -8078.6750500 [eV] =    -296.88584531 [a.u.]         (Virial ratio = 2.325695)
#
# Total molecule energy
#  Emol =    -6102.6286071 [eV] =    -224.26747473 [a.u.]
#
# Total molecule energy from free atoms (containing BSSE)
#  Edif =     2.4825015 [eV] =    0.09123025 [a.u.] =     239.52499 [kJ/mol] =      57.24785 [kcal/mol]
#
#
# Gradient of Emol x(-1) in [eV/A] and [a.u.]
#    1-th atom  (     0.000000    0.000000   -0.000005 ) = (    0.000000    0.000000    0.000000 )
#    2-th atom  (     0.000000   -0.000006    0.000002 ) = (    0.000000    0.000000    0.000000 )
#    3-th atom  (     0.000000    0.000006    0.000002 ) = (    0.000000    0.000000    0.000000 )
#      Total    (     0.000000    0.000000    0.000000 ) = (    0.000000    0.000000    0.000000 )
#
#
# Electric dipole moment
#  mu = (    0.00000,   0.00000,   0.18433 ) [eA] = (    0.00000,   0.00000,   0.34833 ) [a.u.]
#   |mu| =  0.18433 [eA] =  0.34833 [a.u.] =  0.88536 [D]
#
# Electric quadrupole moment Qij  [D.A]
#    -14.696306     0.000000     0.000000
#      0.000000   -17.680927     0.000000
#      0.000000     0.000000   -15.900572
#
#
# Partial charge [e] (population analysis)
#                   Mulliken       Lowdin
#   1-th, O  :     0.38842071    0.23491653
#   2-th, O  :    -0.19421035   -0.11745826
#   3-th, O  :    -0.19421035   -0.11745826
#
#
# Hartree-Fock/Kohn-Sham levels [eV]
#       1st          2nd          3rd          4th          5th          6th          7th          8th          9th         10th         11th         12th
#      13th         14th         15th         16th         17th         18th         19th         20th         21th         22th         23th         24th
#  spin up
#   -569.821467  -563.600761  -563.598032   -50.051931   -40.623394   -29.242531   -23.675748   -22.706586   -22.406946   -15.421811   -14.764004   -13.580199
#     -0.485634     4.570304     5.028168     5.146822     5.857538     6.911678     7.387629     7.662808     8.180117     8.528083     9.623812    10.977997
#  spin down
#   -569.821467  -563.600761  -563.598032   -50.051931   -40.623394   -29.242531   -23.675748   -22.706586   -22.406946   -15.421811   -14.764004   -13.580199
#     -0.485634     4.570304     5.028168     5.146822     5.857538     6.911678     7.387629     7.662808     8.180117     8.528083     9.623812    10.977997
#
#
# Hartree-Fock/Kohn-Sham orbitals
#  spin up
#       1st          2nd          3rd          4th          5th          6th          7th          8th          9th         10th         11th         12th
#      0.995928     0.000000    -0.002662    -0.179086     0.000000    -0.135137    -0.002802     0.000000     0.000000     0.000000     0.036665     0.000000
#      0.022950     0.000000     0.000299     0.410444     0.000000     0.341130     0.004666     0.000000     0.000000     0.000000    -0.091146     0.000000
#      0.000000     0.000023     0.000000     0.000000     0.325310     0.000000     0.000000     0.000000     0.401132    -0.083228     0.000000     0.000000
#     -0.002197     0.000000    -0.000001    -0.118672     0.000000     0.246422     0.475241     0.000000     0.000000     0.000000    -0.348183     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.506602     0.000000     0.000000     0.000000     0.000000
#     -0.011928     0.000000     0.001376     0.311847     0.000000     0.452537     0.012261     0.000000     0.000000     0.000000    -0.195565     0.000000
#      0.000000     0.001334     0.000000     0.000000     0.088053     0.000000     0.000000     0.000000     0.208971    -0.059786     0.000000     0.000000
#      0.002773     0.000000    -0.000099    -0.045942     0.000000     0.085778     0.249051     0.000000     0.000000     0.000000    -0.207649     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.291948     0.000000     0.000000     0.000000     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000    -0.057633
#      0.000000     0.001047     0.000000     0.000000    -0.042808     0.000000     0.000000     0.000000    -0.022559     0.042471     0.000000     0.000000
#     -0.000041     0.000000     0.000204    -0.000210     0.000000    -0.009761    -0.032477     0.000000     0.000000     0.000000    -0.027115     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000    -0.035471     0.000000     0.000000     0.000000     0.000000
#     -0.000194     0.000000     0.001018    -0.021259     0.000000     0.002239    -0.004871     0.000000     0.000000     0.000000    -0.035871     0.000000
#      0.023103     0.000000    -0.005460    -0.179439     0.000000    -0.196960     0.001000     0.000000     0.000000     0.000000    -0.097420     0.000000
#      0.000000    -0.007110     0.000000     0.000000     0.015012     0.000000     0.000000     0.000000    -0.095612     0.081814     0.000000     0.000000
#     -0.005325     0.000000    -0.000374     0.055484     0.000000     0.029015    -0.018080     0.000000     0.000000     0.000000    -0.004147     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000    -0.015062     0.000000     0.000000     0.000000     0.000000
#
#      0.001939     0.704208     0.704180    -0.093306    -0.142642     0.119086    -0.059143     0.000000     0.080337    -0.001124    -0.002856     0.000000
#      0.000095     0.016253     0.015558     0.205839     0.318566    -0.282834     0.142047     0.000000    -0.194786     0.003961     0.009518     0.000000
#     -0.000032    -0.001545    -0.001316    -0.104594    -0.074796    -0.061598     0.276396     0.000000    -0.217543     0.343923     0.064893     0.000000
#      0.000020     0.000735     0.000807     0.050846     0.066803     0.110986     0.095542     0.000000     0.245611     0.361717     0.436626     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.267020     0.000000     0.000000     0.000000    -0.461827
#      0.002100    -0.007966    -0.005949     0.129594     0.297638    -0.359445     0.211531     0.000000    -0.308793     0.022188     0.001405     0.000000
#     -0.000983     0.001692     0.000972    -0.021791    -0.039828    -0.000547     0.121761     0.000000    -0.089999     0.216774     0.059754     0.000000
#      0.000058    -0.000901    -0.000548     0.014181     0.027003     0.032553     0.053499     0.000000     0.111838     0.250355     0.293599     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.145236     0.000000     0.000000     0.000000    -0.336598
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000    -0.028823     0.000000     0.000000     0.000000     0.022839
#      0.000634     0.000132     0.000025    -0.016978    -0.015883    -0.011221     0.006324     0.000000    -0.026406    -0.003433    -0.012315     0.000000
#     -0.000066    -0.000004     0.000220    -0.005557     0.001631     0.003583     0.016323     0.000000     0.003833     0.016618     0.001107     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.017145     0.000000     0.000000     0.000000    -0.013512
#      0.000413     0.000030    -0.000168    -0.014610    -0.010227    -0.001174     0.020883     0.000000    -0.013780     0.013001    -0.004638     0.000000
#     -0.010673     0.015414     0.004132     0.071776    -0.094474     0.092234     0.017990     0.000000     0.073264    -0.061381     0.005320     0.000000
#      0.002973    -0.004583    -0.001153    -0.016249     0.042851    -0.031683    -0.004228     0.000000    -0.010364     0.020606     0.011241     0.000000
#     -0.000967     0.002451     0.001126    -0.000651    -0.014409     0.018301     0.010434     0.000000     0.021061     0.001225     0.029868     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.008310     0.000000     0.000000     0.000000    -0.043049
#
#      0.001939    -0.704207     0.704180    -0.093306     0.142642     0.119086    -0.059143     0.000000    -0.080337     0.001124    -0.002856     0.000000
#      0.000095    -0.016253     0.015558     0.205839    -0.318566    -0.282834     0.142047     0.000000     0.194786    -0.003961     0.009518     0.000000
#      0.000032    -0.001545     0.001316     0.104594    -0.074796     0.061598    -0.276396     0.000000    -0.217543     0.343923    -0.064893     0.000000
#      0.000020    -0.000735     0.000807     0.050846    -0.066803     0.110986     0.095542     0.000000    -0.245611    -0.361717     0.436626     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.267020     0.000000     0.000000     0.000000     0.461827
#      0.002100     0.007966    -0.005949     0.129594    -0.297638    -0.359445     0.211531     0.000000     0.308793    -0.022188     0.001405     0.000000
#      0.000983     0.001692    -0.000972     0.021791    -0.039828     0.000547    -0.121761     0.000000    -0.089999     0.216774    -0.059754     0.000000
#      0.000058     0.000901    -0.000548     0.014181    -0.027003     0.032553     0.053499     0.000000    -0.111838    -0.250355     0.293599     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.145236     0.000000     0.000000     0.000000     0.336598
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.028823     0.000000     0.000000     0.000000     0.022839
#     -0.000634     0.000132    -0.000025     0.016978    -0.015883     0.011221    -0.006324     0.000000    -0.026406    -0.003433     0.012315     0.000000
#     -0.000066     0.000004     0.000220    -0.005557    -0.001631     0.003583     0.016323     0.000000    -0.003833    -0.016618     0.001107     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.017145     0.000000     0.000000     0.000000     0.013512
#      0.000413    -0.000030    -0.000168    -0.014610     0.010227    -0.001174     0.020883     0.000000     0.013780    -0.013001    -0.004638     0.000000
#     -0.010673    -0.015414     0.004132     0.071776     0.094474     0.092234     0.017990     0.000000    -0.073264     0.061381     0.005320     0.000000
#     -0.002973    -0.004583     0.001153     0.016249     0.042851     0.031683     0.004228     0.000000    -0.010364     0.020606    -0.011241     0.000000
#     -0.000967    -0.002451     0.001126    -0.000651     0.014409     0.018301     0.010434     0.000000    -0.021061    -0.001225     0.029868     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.008310     0.000000     0.000000     0.000000     0.043049
#
#
#      13th         14th         15th         16th         17th         18th         19th         20th         21th         22th         23th         24th
#      0.000000    -0.031718     0.000000    -0.030662     0.000000    -0.025007     0.000000     0.000000     0.000000     0.030648     0.000000     0.032521
#      0.000000     0.085028     0.000000     0.145044     0.000000     0.101585     0.000000     0.000000     0.000000    -0.060200     0.000000    -0.010133
#      0.000000     0.000000    -0.091921     0.000000     0.000000     0.000000     0.077476     0.000000     0.000000     0.000000     0.030476     0.000000
#      0.000000     0.111753     0.000000    -0.065327     0.000000    -0.064202     0.000000     0.000000     0.000000     0.054719     0.000000    -0.086853
#      0.487714     0.000000     0.000000     0.000000    -0.041425     0.000000     0.000000     0.000000    -0.168294     0.000000     0.000000     0.000000
#      0.000000     0.270613     0.000000    -0.207601     0.000000     0.036538     0.000000     0.000000     0.000000    -0.499729     0.000000    -0.838313
#      0.000000     0.000000     0.189644     0.000000     0.000000     0.000000     0.086321     0.000000     0.000000     0.000000    -0.273022     0.000000
#      0.000000     0.280449     0.000000     0.097918     0.000000     0.004901     0.000000     0.000000     0.000000     0.037727     0.000000    -0.444192
#      0.422867     0.000000     0.000000     0.000000    -0.162679     0.000000     0.000000     0.000000    -0.461749     0.000000     0.000000     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000    -0.001113     0.000000     0.000000     0.000000     0.000000
#      0.000000     0.000000    -0.041000     0.000000     0.000000     0.000000    -0.000269     0.000000     0.000000     0.000000     0.042156     0.000000
#      0.000000    -0.009674     0.000000    -0.000146     0.000000     0.003841     0.000000     0.000000     0.000000    -0.015943     0.000000     0.004044
#      0.008062     0.000000     0.000000     0.000000     0.013757     0.000000     0.000000     0.000000     0.020755     0.000000     0.000000     0.000000
#      0.000000    -0.004454     0.000000     0.036303     0.000000     0.019127     0.000000     0.000000     0.000000     0.003878     0.000000     0.012454
#      0.000000     3.549959     0.000000     8.967088     0.000000     5.037495     0.000000     0.000000     0.000000     3.359913     0.000000    27.453679
#      0.000000     0.000000    -3.946607     0.000000     0.000000     0.000000     0.779933     0.000000     0.000000     0.000000     7.684534     0.000000
#      0.000000    -1.807099     0.000000    -2.100705     0.000000    -1.757871     0.000000     0.000000     0.000000    -2.690527     0.000000    -4.853455
#      0.271524     0.000000     0.000000     0.000000     0.590506     0.000000     0.000000     0.000000     2.855996     0.000000     0.000000     0.000000
#
#      0.000000    -0.030032    -0.031531     0.034239     0.000000     0.004599     0.001383     0.000000     0.000000     0.027312     0.013482    -0.009921
#      0.000000     0.042412     0.102742    -0.088995     0.000000    -0.023884    -0.017689     0.000000     0.000000     0.003239    -0.033543     0.016086
#      0.000000     0.033351     0.039699     0.061549     0.000000     0.023662     0.062708     0.000000     0.000000    -0.019907     0.044437     0.038029
#      0.000000    -0.018880     0.043628     0.030032     0.000000    -0.137002     0.078599     0.000000     0.000000     0.022187    -0.030874    -0.002509
#     -0.364541     0.000000     0.000000     0.000000    -0.146019     0.000000     0.000000    -0.120831     0.101506     0.000000     0.000000     0.000000
#      0.000000     0.396473     0.012318    -0.178350     0.000000     0.039482     0.074760     0.000000     0.000000    -0.666310    -0.082575     0.077641
#      0.000000     0.080656     0.246034    -0.094365     0.000000    -0.107183     0.101005     0.000000     0.000000     0.138048     0.091200     0.341639
#      0.000000    -0.017963    -0.037890     0.170558     0.000000    -0.296891     0.271816     0.000000     0.000000    -0.021503     0.051397    -0.004371
#     -0.316254     0.000000     0.000000     0.000000    -0.305851     0.000000     0.000000    -0.355609     0.254114     0.000000     0.000000     0.000000
#     -0.008041     0.000000     0.000000     0.000000     0.007827     0.000000     0.000000     0.015397    -0.003916     0.000000     0.000000     0.000000
#      0.000000    -0.005729     0.021435    -0.023567     0.000000    -0.002917    -0.014621     0.000000     0.000000     0.012193    -0.011536    -0.009730
#      0.000000    -0.001110     0.000398    -0.007071     0.000000    -0.017556     0.005162     0.000000     0.000000    -0.002553     0.012355    -0.000549
#      0.006549     0.000000     0.000000     0.000000    -0.002631     0.000000     0.000000    -0.005464     0.010929     0.000000     0.000000     0.000000
#      0.000000    -0.004795     0.015154    -0.019920     0.000000    -0.017850    -0.001944     0.000000     0.000000     0.024744     0.001363     0.018454
#      0.000000    -2.639953     5.619815    -3.998986     0.000000    -2.552513    -1.429442     0.000000     0.000000    -1.337287    -7.343947   -13.602972
#      0.000000     0.542665    -2.249877     1.886517     0.000000     1.406095     0.328383     0.000000     0.000000     0.128110     0.221923     3.837382
#      0.000000    -0.087929     1.313068    -1.025994     0.000000     0.421899    -1.457484     0.000000     0.000000     0.811239    -2.423381    -2.215327
#     -0.236810     0.000000     0.000000     0.000000     0.419164     0.000000     0.000000     1.244104    -1.591109     0.000000     0.000000     0.000000
#
#      0.000000    -0.030032     0.031531     0.034239     0.000000     0.004599    -0.001383     0.000000     0.000000     0.027312    -0.013482    -0.009921
#      0.000000     0.042412    -0.102742    -0.088995     0.000000    -0.023884     0.017689     0.000000     0.000000     0.003239     0.033543     0.016086
#      0.000000    -0.033351     0.039699    -0.061549     0.000000    -0.023662     0.062708     0.000000     0.000000     0.019907     0.044437    -0.038029
#      0.000000    -0.018880    -0.043628     0.030032     0.000000    -0.137002    -0.078599     0.000000     0.000000     0.022187     0.030874    -0.002509
#     -0.364541     0.000000     0.000000     0.000000    -0.146019     0.000000     0.000000     0.120831     0.101506     0.000000     0.000000     0.000000
#      0.000000     0.396473    -0.012318    -0.178350     0.000000     0.039482    -0.074760     0.000000     0.000000    -0.666310     0.082575     0.077641
#      0.000000    -0.080656     0.246034     0.094365     0.000000     0.107183     0.101005     0.000000     0.000000    -0.138048     0.091200    -0.341639
#      0.000000    -0.017963     0.037890     0.170558     0.000000    -0.296891    -0.271816     0.000000     0.000000    -0.021503    -0.051397    -0.004371
#     -0.316254     0.000000     0.000000     0.000000    -0.305851     0.000000     0.000000     0.355609     0.254114     0.000000     0.000000     0.000000
#      0.008041     0.000000     0.000000     0.000000    -0.007827     0.000000     0.000000     0.015397     0.003916     0.000000     0.000000     0.000000
#      0.000000     0.005729     0.021435     0.023567     0.000000     0.002917    -0.014621     0.000000     0.000000    -0.012193    -0.011536     0.009730
#      0.000000    -0.001110    -0.000398    -0.007071     0.000000    -0.017556    -0.005162     0.000000     0.000000    -0.002553    -0.012355    -0.000549
#      0.006549     0.000000     0.000000     0.000000    -0.002631     0.000000     0.000000     0.005464     0.010929     0.000000     0.000000     0.000000
#      0.000000    -0.004795    -0.015154    -0.019920     0.000000    -0.017850     0.001944     0.000000     0.000000     0.024744    -0.001363     0.018454
#      0.000000    -2.639953    -5.619815    -3.998986     0.000000    -2.552513     1.429442     0.000000     0.000000    -1.337287     7.343947   -13.602972
#      0.000000    -0.542665    -2.249877    -1.886517     0.000000    -1.406095     0.328383     0.000000     0.000000    -0.128110     0.221923    -3.837382
#      0.000000    -0.087929    -1.313068    -1.025994     0.000000     0.421899     1.457484     0.000000     0.000000     0.811239     2.423381    -2.215327
#     -0.236810     0.000000     0.000000     0.000000     0.419164     0.000000     0.000000    -1.244104    -1.591109     0.000000     0.000000     0.000000
#
#
#  spin down
#       1st          2nd          3rd          4th          5th          6th          7th          8th          9th         10th         11th         12th
#      0.995928     0.000000    -0.002662    -0.179086     0.000000    -0.135137    -0.002802     0.000000     0.000000     0.000000     0.036665     0.000000
#      0.022950     0.000000     0.000299     0.410444     0.000000     0.341130     0.004666     0.000000     0.000000     0.000000    -0.091146     0.000000
#      0.000000     0.000023     0.000000     0.000000     0.325310     0.000000     0.000000     0.000000     0.401132    -0.083228     0.000000     0.000000
#     -0.002197     0.000000    -0.000001    -0.118672     0.000000     0.246422     0.475241     0.000000     0.000000     0.000000    -0.348183     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.506602     0.000000     0.000000     0.000000     0.000000
#     -0.011928     0.000000     0.001376     0.311847     0.000000     0.452537     0.012261     0.000000     0.000000     0.000000    -0.195565     0.000000
#      0.000000     0.001334     0.000000     0.000000     0.088053     0.000000     0.000000     0.000000     0.208971    -0.059786     0.000000     0.000000
#      0.002773     0.000000    -0.000099    -0.045942     0.000000     0.085778     0.249051     0.000000     0.000000     0.000000    -0.207649     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.291948     0.000000     0.000000     0.000000     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000    -0.057633
#      0.000000     0.001047     0.000000     0.000000    -0.042808     0.000000     0.000000     0.000000    -0.022559     0.042471     0.000000     0.000000
#     -0.000041     0.000000     0.000204    -0.000210     0.000000    -0.009761    -0.032477     0.000000     0.000000     0.000000    -0.027115     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000    -0.035471     0.000000     0.000000     0.000000     0.000000
#     -0.000194     0.000000     0.001018    -0.021259     0.000000     0.002239    -0.004871     0.000000     0.000000     0.000000    -0.035871     0.000000
#      0.023103     0.000000    -0.005460    -0.179439     0.000000    -0.196960     0.001000     0.000000     0.000000     0.000000    -0.097420     0.000000
#      0.000000    -0.007110     0.000000     0.000000     0.015012     0.000000     0.000000     0.000000    -0.095612     0.081814     0.000000     0.000000
#     -0.005325     0.000000    -0.000374     0.055484     0.000000     0.029015    -0.018080     0.000000     0.000000     0.000000    -0.004147     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000    -0.015062     0.000000     0.000000     0.000000     0.000000
#
#      0.001939     0.704208     0.704180    -0.093306    -0.142642     0.119086    -0.059143     0.000000     0.080337    -0.001124    -0.002856     0.000000
#      0.000095     0.016253     0.015558     0.205839     0.318566    -0.282834     0.142047     0.000000    -0.194786     0.003961     0.009518     0.000000
#     -0.000032    -0.001545    -0.001316    -0.104594    -0.074796    -0.061598     0.276396     0.000000    -0.217543     0.343923     0.064893     0.000000
#      0.000020     0.000735     0.000807     0.050846     0.066803     0.110986     0.095542     0.000000     0.245611     0.361717     0.436626     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.267020     0.000000     0.000000     0.000000    -0.461827
#      0.002100    -0.007966    -0.005949     0.129594     0.297638    -0.359445     0.211531     0.000000    -0.308793     0.022188     0.001405     0.000000
#     -0.000983     0.001692     0.000972    -0.021791    -0.039828    -0.000547     0.121761     0.000000    -0.089999     0.216774     0.059754     0.000000
#      0.000058    -0.000901    -0.000548     0.014181     0.027003     0.032553     0.053499     0.000000     0.111838     0.250355     0.293599     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.145236     0.000000     0.000000     0.000000    -0.336598
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000    -0.028823     0.000000     0.000000     0.000000     0.022839
#      0.000634     0.000132     0.000025    -0.016978    -0.015883    -0.011221     0.006324     0.000000    -0.026406    -0.003433    -0.012315     0.000000
#     -0.000066    -0.000004     0.000220    -0.005557     0.001631     0.003583     0.016323     0.000000     0.003833     0.016618     0.001107     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.017145     0.000000     0.000000     0.000000    -0.013512
#      0.000413     0.000030    -0.000168    -0.014610    -0.010227    -0.001174     0.020883     0.000000    -0.013780     0.013001    -0.004638     0.000000
#     -0.010673     0.015414     0.004132     0.071776    -0.094474     0.092234     0.017990     0.000000     0.073264    -0.061381     0.005320     0.000000
#      0.002973    -0.004583    -0.001153    -0.016249     0.042851    -0.031683    -0.004228     0.000000    -0.010364     0.020606     0.011241     0.000000
#     -0.000967     0.002451     0.001126    -0.000651    -0.014409     0.018301     0.010434     0.000000     0.021061     0.001225     0.029868     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.008310     0.000000     0.000000     0.000000    -0.043049
#
#      0.001939    -0.704207     0.704180    -0.093306     0.142642     0.119086    -0.059143     0.000000    -0.080337     0.001124    -0.002856     0.000000
#      0.000095    -0.016253     0.015558     0.205839    -0.318566    -0.282834     0.142047     0.000000     0.194786    -0.003961     0.009518     0.000000
#      0.000032    -0.001545     0.001316     0.104594    -0.074796     0.061598    -0.276396     0.000000    -0.217543     0.343923    -0.064893     0.000000
#      0.000020    -0.000735     0.000807     0.050846    -0.066803     0.110986     0.095542     0.000000    -0.245611    -0.361717     0.436626     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.267020     0.000000     0.000000     0.000000     0.461827
#      0.002100     0.007966    -0.005949     0.129594    -0.297638    -0.359445     0.211531     0.000000     0.308793    -0.022188     0.001405     0.000000
#      0.000983     0.001692    -0.000972     0.021791    -0.039828     0.000547    -0.121761     0.000000    -0.089999     0.216774    -0.059754     0.000000
#      0.000058     0.000901    -0.000548     0.014181    -0.027003     0.032553     0.053499     0.000000    -0.111838    -0.250355     0.293599     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.145236     0.000000     0.000000     0.000000     0.336598
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.028823     0.000000     0.000000     0.000000     0.022839
#     -0.000634     0.000132    -0.000025     0.016978    -0.015883     0.011221    -0.006324     0.000000    -0.026406    -0.003433     0.012315     0.000000
#     -0.000066     0.000004     0.000220    -0.005557    -0.001631     0.003583     0.016323     0.000000    -0.003833    -0.016618     0.001107     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.017145     0.000000     0.000000     0.000000     0.013512
#      0.000413    -0.000030    -0.000168    -0.014610     0.010227    -0.001174     0.020883     0.000000     0.013780    -0.013001    -0.004638     0.000000
#     -0.010673    -0.015414     0.004132     0.071776     0.094474     0.092234     0.017990     0.000000    -0.073264     0.061381     0.005320     0.000000
#     -0.002973    -0.004583     0.001153     0.016249     0.042851     0.031683     0.004228     0.000000    -0.010364     0.020606    -0.011241     0.000000
#     -0.000967    -0.002451     0.001126    -0.000651     0.014409     0.018301     0.010434     0.000000    -0.021061    -0.001225     0.029868     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.008310     0.000000     0.000000     0.000000     0.043049
#
#
#      13th         14th         15th         16th         17th         18th         19th         20th         21th         22th         23th         24th
#      0.000000    -0.031718     0.000000    -0.030662     0.000000    -0.025007     0.000000     0.000000     0.000000     0.030648     0.000000     0.032521
#      0.000000     0.085028     0.000000     0.145044     0.000000     0.101585     0.000000     0.000000     0.000000    -0.060200     0.000000    -0.010133
#      0.000000     0.000000    -0.091921     0.000000     0.000000     0.000000     0.077476     0.000000     0.000000     0.000000     0.030476     0.000000
#      0.000000     0.111753     0.000000    -0.065327     0.000000    -0.064202     0.000000     0.000000     0.000000     0.054719     0.000000    -0.086853
#      0.487714     0.000000     0.000000     0.000000    -0.041425     0.000000     0.000000     0.000000    -0.168294     0.000000     0.000000     0.000000
#      0.000000     0.270613     0.000000    -0.207601     0.000000     0.036538     0.000000     0.000000     0.000000    -0.499729     0.000000    -0.838313
#      0.000000     0.000000     0.189644     0.000000     0.000000     0.000000     0.086321     0.000000     0.000000     0.000000    -0.273022     0.000000
#      0.000000     0.280449     0.000000     0.097918     0.000000     0.004901     0.000000     0.000000     0.000000     0.037727     0.000000    -0.444192
#      0.422867     0.000000     0.000000     0.000000    -0.162679     0.000000     0.000000     0.000000    -0.461749     0.000000     0.000000     0.000000
#      0.000000     0.000000     0.000000     0.000000     0.000000     0.000000     0.000000    -0.001113     0.000000     0.000000     0.000000     0.000000
#      0.000000     0.000000    -0.041000     0.000000     0.000000     0.000000    -0.000269     0.000000     0.000000     0.000000     0.042156     0.000000
#      0.000000    -0.009674     0.000000    -0.000146     0.000000     0.003841     0.000000     0.000000     0.000000    -0.015943     0.000000     0.004044
#      0.008062     0.000000     0.000000     0.000000     0.013757     0.000000     0.000000     0.000000     0.020755     0.000000     0.000000     0.000000
#      0.000000    -0.004454     0.000000     0.036303     0.000000     0.019127     0.000000     0.000000     0.000000     0.003878     0.000000     0.012454
#      0.000000     3.549959     0.000000     8.967088     0.000000     5.037495     0.000000     0.000000     0.000000     3.359913     0.000000    27.453679
#      0.000000     0.000000    -3.946607     0.000000     0.000000     0.000000     0.779933     0.000000     0.000000     0.000000     7.684534     0.000000
#      0.000000    -1.807099     0.000000    -2.100705     0.000000    -1.757871     0.000000     0.000000     0.000000    -2.690527     0.000000    -4.853455
#      0.271524     0.000000     0.000000     0.000000     0.590506     0.000000     0.000000     0.000000     2.855996     0.000000     0.000000     0.000000
#
#      0.000000    -0.030032    -0.031531     0.034239     0.000000     0.004599     0.001383     0.000000     0.000000     0.027312     0.013482    -0.009921
#      0.000000     0.042412     0.102742    -0.088995     0.000000    -0.023884    -0.017689     0.000000     0.000000     0.003239    -0.033543     0.016086
#      0.000000     0.033351     0.039699     0.061549     0.000000     0.023662     0.062708     0.000000     0.000000    -0.019907     0.044437     0.038029
#      0.000000    -0.018880     0.043628     0.030032     0.000000    -0.137002     0.078599     0.000000     0.000000     0.022187    -0.030874    -0.002509
#     -0.364541     0.000000     0.000000     0.000000    -0.146019     0.000000     0.000000    -0.120831     0.101506     0.000000     0.000000     0.000000
#      0.000000     0.396473     0.012318    -0.178350     0.000000     0.039482     0.074760     0.000000     0.000000    -0.666310    -0.082575     0.077641
#      0.000000     0.080656     0.246034    -0.094365     0.000000    -0.107183     0.101005     0.000000     0.000000     0.138048     0.091200     0.341639
#      0.000000    -0.017963    -0.037890     0.170558     0.000000    -0.296891     0.271816     0.000000     0.000000    -0.021503     0.051397    -0.004371
#     -0.316254     0.000000     0.000000     0.000000    -0.305851     0.000000     0.000000    -0.355609     0.254114     0.000000     0.000000     0.000000
#     -0.008041     0.000000     0.000000     0.000000     0.007827     0.000000     0.000000     0.015397    -0.003916     0.000000     0.000000     0.000000
#      0.000000    -0.005729     0.021435    -0.023567     0.000000    -0.002917    -0.014621     0.000000     0.000000     0.012193    -0.011536    -0.009730
#      0.000000    -0.001110     0.000398    -0.007071     0.000000    -0.017556     0.005162     0.000000     0.000000    -0.002553     0.012355    -0.000549
#      0.006549     0.000000     0.000000     0.000000    -0.002631     0.000000     0.000000    -0.005464     0.010929     0.000000     0.000000     0.000000
#      0.000000    -0.004795     0.015154    -0.019920     0.000000    -0.017850    -0.001944     0.000000     0.000000     0.024744     0.001363     0.018454
#      0.000000    -2.639953     5.619815    -3.998986     0.000000    -2.552513    -1.429442     0.000000     0.000000    -1.337287    -7.343947   -13.602972
#      0.000000     0.542665    -2.249877     1.886517     0.000000     1.406095     0.328383     0.000000     0.000000     0.128110     0.221923     3.837382
#      0.000000    -0.087929     1.313068    -1.025994     0.000000     0.421899    -1.457484     0.000000     0.000000     0.811239    -2.423381    -2.215327
#     -0.236810     0.000000     0.000000     0.000000     0.419164     0.000000     0.000000     1.244104    -1.591109     0.000000     0.000000     0.000000
#
#      0.000000    -0.030032     0.031531     0.034239     0.000000     0.004599    -0.001383     0.000000     0.000000     0.027312    -0.013482    -0.009921
#      0.000000     0.042412    -0.102742    -0.088995     0.000000    -0.023884     0.017689     0.000000     0.000000     0.003239     0.033543     0.016086
#      0.000000    -0.033351     0.039699    -0.061549     0.000000    -0.023662     0.062708     0.000000     0.000000     0.019907     0.044437    -0.038029
#      0.000000    -0.018880    -0.043628     0.030032     0.000000    -0.137002    -0.078599     0.000000     0.000000     0.022187     0.030874    -0.002509
#     -0.364541     0.000000     0.000000     0.000000    -0.146019     0.000000     0.000000     0.120831     0.101506     0.000000     0.000000     0.000000
#      0.000000     0.396473    -0.012318    -0.178350     0.000000     0.039482    -0.074760     0.000000     0.000000    -0.666310     0.082575     0.077641
#      0.000000    -0.080656     0.246034     0.094365     0.000000     0.107183     0.101005     0.000000     0.000000    -0.138048     0.091200    -0.341639
#      0.000000    -0.017963     0.037890     0.170558     0.000000    -0.296891    -0.271816     0.000000     0.000000    -0.021503    -0.051397    -0.004371
#     -0.316254     0.000000     0.000000     0.000000    -0.305851     0.000000     0.000000     0.355609     0.254114     0.000000     0.000000     0.000000
#      0.008041     0.000000     0.000000     0.000000    -0.007827     0.000000     0.000000     0.015397     0.003916     0.000000     0.000000     0.000000
#      0.000000     0.005729     0.021435     0.023567     0.000000     0.002917    -0.014621     0.000000     0.000000    -0.012193    -0.011536     0.009730
#      0.000000    -0.001110    -0.000398    -0.007071     0.000000    -0.017556    -0.005162     0.000000     0.000000    -0.002553    -0.012355    -0.000549
#      0.006549     0.000000     0.000000     0.000000    -0.002631     0.000000     0.000000     0.005464     0.010929     0.000000     0.000000     0.000000
#      0.000000    -0.004795    -0.015154    -0.019920     0.000000    -0.017850     0.001944     0.000000     0.000000     0.024744    -0.001363     0.018454
#      0.000000    -2.639953    -5.619815    -3.998986     0.000000    -2.552513     1.429442     0.000000     0.000000    -1.337287     7.343947   -13.602972
#      0.000000    -0.542665    -2.249877    -1.886517     0.000000    -1.406095     0.328383     0.000000     0.000000    -0.128110     0.221923    -3.837382
#      0.000000    -0.087929    -1.313068    -1.025994     0.000000     0.421899     1.457484     0.000000     0.000000     0.811239     2.423381    -2.215327
#     -0.236810     0.000000     0.000000     0.000000     0.419164     0.000000     0.000000    -1.244104    -1.591109     0.000000     0.000000     0.000000
#
#
