# Name of the theory (B3LYP, SVWN, BOP etc. or HF for the Hartree-Fock)
"HF"

# Name of the basis set (STO-3G, 6-31Gxx etc.)
"STO-3G"

# Type of job and times of optimization (dryrun,energy,gradient,optimize,vibration)
"energy" 0

# Additional calculation (0=off,1=Polarizability,2=Atomic BSSE,4=Raman)
0

# Cube files output (0=off,1=Orbital,2=Density,4=Potential)
7

# File name to load the initial Rho etc, if it exists. (eg ./abc.bin)
""

# Suffix attached to output files (eg "_2nd")
""

# Ghost atoms from #-th to #-th (eg 0 0 for no ghost)
0 0

# Name of the molecule
"Taxol"

# Charge of the molecule (Cation>0, Anion<0)
0

# Spin multiplicity of the molecule (Singlet=1)
1

# Symbol and cartesian coordinate[Ang] of atoms in the molecule
C    -6.3960615647    1.6375500661   -1.0167390582
C    -5.5976011922    1.9479656072    0.3156763742
C    -4.1358423840    1.3888885892    0.3061559180
C    -4.0900116402   -0.2069339772    0.0759908147
C    -5.3005244050   -0.5559695927   -0.7831189443
C    -5.6408352846    0.5560151731   -1.7454174478
C    -2.8203119095   -0.7723427440   -0.5951161079
C    -3.4405167500    1.9809801074    1.5954932385
C    -1.5722954629   -0.0769638917   -0.1719253097
O    -2.6953275274   -2.1590273791   -0.1697708437
O    -1.8693493295    1.2308626735   -0.7751223509
C    -1.3334064307   -0.1176307913    1.4101576262
C    -0.8881044770    1.2874584739    1.4845316346
C     0.3196036852    1.5770567320    0.9640605315
O    -4.0360627508    2.4497903759    2.5047989338
O    -1.9504980519    2.1870799707    1.7492357544
C    -0.2198636798   -0.3744036919   -0.8072269875
C     0.8361321957    0.5392960246   -0.0882305557
O    -6.3705650302   -0.7461436866    0.1814962812
C    -7.5079885256   -1.5312544379    0.1764442320
O    -7.7343168261   -2.1872429459    1.1532459677
C    -8.4523249942   -1.4157500320   -0.9939259615
C    -5.4161056771   -1.5091023683   -2.0070002809
O    -6.2192571555   -0.4454467295   -2.6902950026
O    -5.4267626184    3.3774437107    0.3776243498
O    -1.6122441118    4.1801170473    0.0343779432
C    -0.7940923698    5.2257739597    0.2990567126
O    -0.3048947277    5.8645765943   -0.5895332555
C    -0.5432141747    5.4736984394    1.7763873918
C     1.2298580068    2.7852908502    1.0315034732
O     1.9361230485   -0.3334212217    0.3599506557
C     3.1923971442    0.0392867864    0.0732007951
O     3.4564612550    1.0474089559   -0.5229789642
C     4.1741649865   -1.0074733119    0.5409360653
C     5.5923102950   -0.5507792057    0.2305424754
C     6.6535032780   -1.6276654266    0.4267849964
C     6.3531145194   -2.9590427132    0.6578478411
C     7.3484376981   -3.9223474323    0.5946432758
C     8.6553264573   -3.5577622028    0.3262773335
C     8.9721236891   -2.2174054241    0.1751067514
C     7.9780880254   -1.2615408527    0.2323472017
O     4.0117554647   -1.2781153298    1.9325731679
N     5.9708266751    0.6810003374    0.8873415746
C     6.1083010659    1.9571429450    0.3956141999
O     6.3193157933    2.8803620623    1.1682891449
C     5.8856236342    2.2294771536   -1.0684368500
C     6.1182756121    1.3530945943   -2.1154261935
C     5.5666092653    1.5985926913   -3.3627521786
C     4.8504992902    2.7660991077   -3.5880645167
C     4.7600523715    3.7102511809   -2.5859738609
C     5.2758308332    3.4419993713   -1.3326644938
C    -2.1366949616   -3.0476305872   -1.0300505942
O    -2.1451655154   -2.8533797614   -2.2328870532
C    -1.5033714554   -4.2030087508   -0.3691075134
C    -1.4395726939   -4.3266981108    1.0054185593
C    -0.7638829811   -5.3989751504    1.5627241997
C    -0.1728504183   -6.3468606504    0.7427716273
C    -0.2555829630   -6.2275386962   -0.6353203163
C    -0.9155593963   -5.1509643641   -1.1911103638
C    -0.2097392796   -1.1547474452    1.8364340368
C    -2.4300502071   -0.4562312768    2.4707641203
H    -3.6491742439    1.8683152472   -0.5155830220
H    -4.2442039674   -0.7298028968    0.9946070928
H    -6.1319126304    1.5761651125    1.1739416597
H    -6.4278095287    2.5627462321   -1.5682088644
H    -7.3896383806    1.3053381318   -0.7744956635
H    -4.7465705868    0.9454137315   -2.2120480815
H    -2.8855554103   -0.7190312325   -1.6682581370
H    -1.1756471657    1.8958446516   -0.6850815225
H    -1.8481632425    3.6442035335    0.8091515684
H    -0.3040222781   -0.0416779115   -1.8339005061
H     0.0915191278   -1.3952921601   -0.8028715623
H     1.2665207958    1.1759763221   -0.8367612418
H    -7.9447751635   -1.4087835985   -1.9396806789
H    -8.9860724820   -0.4736978340   -0.9254124624
H    -9.1714803590   -2.2205724001   -0.9250166491
H    -5.9696659013   -2.4206608341   -1.8715269767
H    -4.4956987862   -1.6916167197   -2.5341522638
H    -6.1859306778    3.7990292112    0.8057985278
H    -0.4047348600    4.5302819326    2.2918679722
H    -1.4092253680    5.9590265117    2.2201988007
H     0.3171040869    6.0931663404    1.8871608880
H     1.4832824150    3.0343295148    2.0569031127
H     0.8689347198    3.6687756404    0.5365846962
H     2.1684888568    2.5341563953    0.5367744746
H     3.9669613366   -1.8924968836   -0.0572581027
H     5.5541772134   -0.3516751663   -0.8217997298
H     5.3544974548   -3.2557099687    0.9038847941
H     7.0989139525   -4.9513958159    0.7469287918
H     9.4171939156   -4.3036934271    0.2407856159
H     9.9857443995   -1.9177653222    0.0023467668
H     8.2254733522   -0.2253064772    0.1253413078
H     3.1299494847   -1.6337868182    2.1083778803
H     6.0936138326    0.6250743708    1.8859547914
H     6.7084379892    0.4705180459   -1.9833352247
H     5.6743950704    0.8727859493   -4.1412749888
H     4.3798456238    2.9274160428   -4.5335955847
H     4.2563843627    4.6442138650   -2.7660687217
H     5.1747305805    4.1495326330   -0.5327311357
H    -1.9015964720   -3.5961881882    1.6316249866
H    -0.6959960683   -5.4955297144    2.6284271470
H     0.3482320371   -7.1761491687    1.1766068045
H     0.1934856075   -6.9647950021   -1.2689411336
H    -0.9826070096   -5.0258752831   -2.2518209168
H     0.6895305096   -0.6503325497    2.1318038533
H     0.0408559146   -1.8507203279    1.0570933960
H    -0.5497152190   -1.7387966223    2.6730562622
H    -2.6864693812   -1.5071204618    2.3903167090
H    -3.3390142876    0.1000510598    2.4688669158
H    -1.9770019524   -0.2959025420    3.4410100992
