%chk=000074384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074384

0 1
 S   -3.272900       1.168800      0.1838000    
 S    3.137900      -1.437900      -1.790300    
 P    3.544300     -0.2763000     -0.2773000    
 O   -3.949500       1.033900       1.467500    
 O   -3.345300       2.436300     -0.5309000    
 O    2.425500     -0.1735000      0.8916000    
 O    4.865100     -0.6728000      0.5890000    
 O    3.844700       1.290200     -0.5984000    
 N   -3.818200     -7.4600004E-02 -0.8543000    
 C   -3.721200      -1.478500     -0.4293000    
 C   -1.585700      0.7711000      0.3934000    
 C   -2.825700      -2.232700      -1.401500    
 C   -5.120200      -2.074200     -0.3737000    
 C  -0.6327000       1.290900     -0.4825000    
 C   -1.190800     -6.6500001E-02   1.436600    
 C    1.102700      0.1376000      0.7270000    
 C   0.7152000      0.9732000     -0.3153000    
 C   0.1571000     -0.3840000       1.603800    
 C    4.875300      -1.866900       1.353400    
 C    4.794200       1.635800      -1.592500    
 H   -3.300000      -1.559200      0.5753000    
 H   -3.978600      0.1156000      -1.850600    
 H   -2.730500      -3.283400      -1.108300    
 H   -3.225900      -2.200200      -2.421100    
 H   -1.820900      -1.798000      -1.428900    
 H   -5.749200      -1.524000      0.3347000    
 H   -5.087300      -3.121300     -5.5300001E-02
 H   -5.611600      -2.031300      -1.352300    
 H  -0.9181000       1.940200      -1.305400    
 H   -1.912100     -0.4779000       2.136600    
 H    1.426800       1.400900      -1.011700    
 H   0.4610000      -1.035500       2.418300    
 H    5.829300      -1.933100       1.882500    
 H    4.773700      -2.735700      0.6988000    
 H    4.065000      -1.854700       2.086500    
 H    5.065900       2.686500      -1.464400    
 H    4.356600       1.502500      -2.584900    
 H    5.693700       1.022500      -1.492800    


%chk=000074384-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074384

0 1
S -3.169830 0.653582 0.165367
S 3.795217 -1.526748 -1.509442
P 4.028229 -0.071163 -0.075136
O -3.877062 0.238932 1.579764
O -3.441168 2.080713 -0.578294
O 2.781413 0.114884 1.134437
O 5.387818 -0.178331 0.971132
O 4.162046 1.567843 -0.583229
N -3.534265 -0.665703 -1.126581
C -4.428183 -1.773349 -0.651282
C -1.315885 0.475179 0.426241
C -4.225132 -2.942475 -1.642292
C -5.912045 -1.362058 -0.517567
C -0.452291 1.144069 -0.456079
C -0.871982 -0.293641 1.514504
C 1.405025 0.234474 0.828358
C 0.937410 1.026636 -0.246849
C 0.518238 -0.420561 1.711985
C 5.782497 -1.505271 1.502791
C 5.174009 1.895342 -1.620443
H -4.049125 -2.073114 0.343853
H -3.970845 -0.112403 -1.893652
H -4.798002 -3.824137 -1.301460
H -4.584633 -2.672400 -2.652781
H -3.158409 -3.212061 -1.713624
H -6.026016 -0.548732 0.219564
H -6.521530 -2.219900 -0.179168
H -6.314361 -1.024891 -1.492742
H -0.853423 1.763870 -1.263817
H -1.592672 -0.759989 2.193353
H 1.647563 1.556884 -0.888575
H 0.924155 -1.008626 2.539454
H 6.794431 -1.351927 1.904678
H 5.796460 -2.263231 0.698188
H 5.090904 -1.808868 2.307083
H 4.951724 2.934275 -1.903236
H 5.069319 1.226556 -2.494482
H 6.188000 1.820137 -1.192919


