%chk=000023270.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023270

0 1
 S   -2.346300     -0.6041000     -0.9146000    
 S    1.765500      -4.311400      0.1018000    
 S    4.772000       2.981800     -3.7200000E-02
 O   -1.229700     -0.2360000      0.2236000    
 O    1.889000      -4.734600       1.676300    
 O    5.180900       3.245100       1.523600    
 O   -2.633600      -2.024600     -0.8620000    
 O   -1.964300      5.2700002E-02  -2.150900    
 O   0.5479000      -4.924900     -0.4082000    
 O    3.047800      -4.566500     -0.5361000    
 O    5.874100       2.252600     -0.6475000    
 O    4.312400       4.240900     -0.6023000    
 N  -0.2724000       2.221800      0.1781000    
 C    1.166200      0.2035000      0.1209000    
 C    2.473200     -0.3362000      6.5899998E-02
 C   6.5200001E-02 -0.6671000      0.1685000    
 C   0.9987000       1.597900      0.1265000    
 C    1.535700      -2.580700      0.1086000    
 C    2.640700      -1.730600      6.0300000E-02
 C    3.574300      0.5341000      1.7800000E-02
 C    3.389400       1.917000      2.4400000E-02
 C   0.2502000      -2.049900      0.1623000    
 C    2.104200       2.447900      7.8699999E-02
 C   -3.817200      0.1976000     -0.3520000    
 C   -4.075500       1.496400     -0.7560000    
 C   -4.684300     -0.4868000      0.4824000    
 C   -6.120900       1.455200      0.5291000    
 C   -5.236200       2.130000     -0.3120000    
 C   -5.845000      0.1469000      0.9263000    
 C   -7.362200       2.132300       1.003500    
 H    3.646700      -2.144100      2.6500000E-02
 H    4.579500      0.1186000     -1.7100001E-02
 H  -0.5978000      -2.720500      0.2484000    
 H    1.954800       3.525000      9.1899998E-02
 H   -1.114500       1.675700      0.2827000    
 H  -0.3364000       3.231400      0.1878000    
 H   -3.395600       2.042300      -1.402700    
 H   -4.484100      -1.501700      0.8116000    
 H   -5.438200       3.150900     -0.6252000    
 H   -6.524800     -0.3878000       1.584500    
 H    1.094500      -4.544500       2.228600    
 H   -7.168000       2.656200       1.944700    
 H   -7.723400       2.857400      0.2663000    
 H   -8.169700       1.409800       1.163900    
 H    5.448400       2.443300       2.031700    


%chk=000023270-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023270

0 1
S -3.024235 0.933608 2.238036
S -0.499147 -2.843234 1.598897
S 5.047961 1.457080 -2.351739
O 0.404298 2.184147 2.738410
O 0.438761 -3.152780 3.176506
O 6.412633 0.867857 -1.242616
O -1.484379 0.353604 1.140549
O -3.131020 2.564864 2.218791
O -2.059353 -2.693587 2.010789
O -0.058400 -3.916969 0.473975
O 4.779208 0.334260 -3.482847
O 5.324604 2.997415 -2.757651
N 2.169664 3.649872 1.414822
C 1.718258 1.290965 0.915678
C 2.044763 0.119810 0.148838
C 0.650967 1.232823 1.923296
C 2.438718 2.522970 0.687442
C 0.316522 -1.179741 1.286597
C 1.346253 -1.145195 0.406712
C 3.061185 0.148215 -0.827089
C 3.717752 1.377339 -1.025206
C -0.291806 0.006838 1.954959
C 3.457631 2.546734 -0.325661
C -4.225092 0.398556 0.906468
C -4.978181 1.398685 0.265140
C -4.371541 -0.972275 0.610370
C -6.104593 -0.363958 -1.039625
C -5.916029 1.005848 -0.712114
C -5.317985 -1.340087 -0.368874
C -7.137044 -0.781057 -2.069853
H 1.673100 -2.052977 -0.114302
H 3.319975 -0.734584 -1.418435
H -0.578785 -0.189295 3.007043
H 4.014309 3.464171 -0.545790
H 1.454206 3.578748 2.154961
H 2.656844 4.523417 1.224801
H -4.816021 2.449862 0.530037
H -3.749518 -1.727170 1.105141
H -6.509316 1.769931 -1.227506
H -5.441301 -2.399888 -0.620587
H 0.025915 -3.948311 3.623923
H -8.069740 -1.118615 -1.577450
H -7.401828 0.053106 -2.741836
H -6.774758 -1.620750 -2.688916
H 7.237741 0.762048 -1.800683


