%chk=000071256.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071256

0 1
 S   0.1195000      0.1408000      -1.832900    
 S   -4.016900      -1.170600      0.2292000    
 S   -6.471200      -3.037900      0.2260000    
 S    3.243600      -3.558000     -0.9621000    
 O   0.4012000       3.164400       1.687200    
 O   -2.719600       3.430300       1.174400    
 O   -3.019100       1.360200       2.099000    
 O    4.049500       1.897500      -1.715700    
 O    6.285500     -0.7360000      0.7532000    
 N  -0.6036000       2.042600     -0.1272000    
 N    2.385700       1.347700     -0.1537000    
 N    5.635000      0.4137000      0.2836000    
 N    3.883100      -1.952200      0.9601000    
 N   -8.058800      -1.122700     -7.3500000E-02
 N   -8.026400      -2.439800      5.4099999E-02
 N    3.236600      -4.123600       1.636300    
 C   0.1575000       1.882800      -1.352800    
 C    1.385300       2.343300     -0.5369000    
 C   0.3604000       2.660300      0.5893000    
 C   -1.884900       1.619800      2.6100000E-02
 C   -2.454800      0.7579000     -0.8494000    
 C   -1.696800      0.1136000      -2.008000    
 C   -3.894400      0.3061000     -0.7935000    
 C   -2.603500       2.088500       1.220400    
 C    3.610600       1.236100     -0.7886000    
 C    4.470300      0.1367000     -0.2204000    
 C    4.024700      -1.260400     -0.2271000    
 C   -5.755500      -1.481500      0.1306000    
 C    3.724100      -1.964100      -1.374400    
 C   -6.785700     -0.5766000     -3.0900000E-02
 C    3.476300      -3.173500      0.6940000    
 C    7.542400     -0.3455000       1.283800    
 H  -0.1435000       2.586900      -2.137700    
 H    1.848300       3.256800     -0.9308000    
 H   -1.969600      0.6162000      -2.942600    
 H   -1.974800     -0.9408000      -2.105400    
 H    2.186200      0.7053000      0.6097000    
 H   -4.274900      0.1090000      -1.802300    
 H   -4.513000       1.107000     -0.3755000    
 H   -3.194800       3.786800       1.955100    
 H    3.760800      -1.634000      -2.403100    
 H   -6.689500      0.4968000     -0.1177000    
 H    8.055200      -1.238000       1.652200    
 H    7.404200      0.3496000       2.117900    
 H    8.157300      0.1169000      0.5055000    
 H    3.361900      -3.938100       2.626000    
 H    2.923200      -5.056100       1.387600    


%chk=000071256-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071256

0 1
S -0.162132 -0.030694 -1.589376
S -4.568969 -1.112355 -0.043220
S -6.821962 -3.126138 -0.622683
S 2.916512 -3.660162 0.368002
O 0.282915 2.031182 2.387492
O -2.267806 3.504993 1.832410
O -4.038777 2.001569 1.828692
O 3.985729 2.323105 -0.764682
O 6.744944 -0.778838 -0.190448
N -0.797287 2.007109 0.183690
N 2.340266 0.923488 0.099427
N 5.879047 0.352949 -0.324044
N 4.582337 -1.877365 1.510037
N -8.277284 -1.114794 -1.707403
N -8.537489 -2.339861 -1.552170
N 4.327846 -3.880420 2.793240
C 0.095301 1.736378 -0.962320
C 1.329530 1.940156 -0.000936
C 0.269770 2.024855 1.151836
C -2.176594 1.732378 0.244205
C -2.777819 0.933475 -0.712756
C -2.016023 0.277723 -1.856733
C -4.257346 0.666092 -0.750767
C -2.935662 2.376998 1.364850
C 3.656820 1.195848 -0.296542
C 4.610894 0.037478 -0.106625
C 4.122230 -1.307442 0.307405
C -6.197742 -1.475223 -0.706381
C 3.229881 -2.073646 -0.430149
C -7.081535 -0.549470 -1.297308
C 4.072973 -3.081930 1.706346
C 8.135898 -0.323386 -0.404289
H -0.017282 2.437776 -1.802169
H 1.842020 2.899276 -0.200059
H -2.119619 0.878390 -2.780030
H -2.445879 -0.720163 -2.054972
H 2.110015 0.001304 0.478903
H -4.622352 0.627556 -1.791857
H -4.844493 1.358307 -0.133829
H -2.744457 3.871338 2.625253
H 2.777355 -1.855701 -1.395091
H -6.931968 0.520267 -1.422452
H 8.737533 -1.244010 -0.352036
H 8.431922 0.382505 0.389748
H 8.233884 0.155733 -1.392905
H 4.965172 -3.529871 3.505293
H 3.896782 -4.792559 2.906504


