%chk=000091118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091118

0 1
 S    2.674600       2.080800      3.2299999E-02
 S  -0.5488000       2.054500      0.1697000    
 S   -3.538000       1.727900      0.2515000    
 S    5.677800       1.986400     -0.1150000    
 O    2.146100      -1.657500     -0.5214000    
 O   -8.223300     -0.4279000      0.2573000    
 O   -6.451500      -1.800900     -0.1070000    
 N    3.930600     -0.1356000     -0.3606000    
 N  -0.4259000     -0.5031000     -0.2325000    
 N   -1.781000     -0.2557000     -0.1334000    
 C    1.732100      0.6588000     -0.1449000    
 C   0.4003000      0.6015000     -9.7099997E-02
 C    2.591400     -0.5283000     -0.3644000    
 C    5.007700      -1.103000     -0.5526000    
 C    4.196200       1.214900     -0.1665000    
 C   -1.969100       1.015200      7.1699999E-02
 C  -1.4100000E-02  -1.870900     -0.4560000    
 C   -4.561400      0.2499000      6.8099998E-02
 C   -6.042500      0.5540000      0.2460000    
 C    5.426900      -1.636300      0.7769000    
 C   -6.899100     -0.6834000      0.1180000    
 C    6.670900      -1.541300       1.259900    
 H    4.626200      -1.935800      -1.154700    
 H    5.840400     -0.6599000      -1.107000    
 H  -0.9326000      -2.479200     -0.5063000    
 H   0.4697000      -2.322800      0.4180000    
 H   0.3854000      -2.040400      -1.462800    
 H   -4.392000     -0.1837000     -0.9243000    
 H   -4.254900     -0.4935000      0.8132000    
 H   -6.225100      0.9794000       1.239700    
 H   -6.375200       1.268200     -0.5161000    
 H    4.676100      -2.142500       1.378800    
 H    6.914800      -1.954900       2.232400    
 H    7.463300      -1.057100      0.7001000    
 H   -8.765100      -1.240100      0.1620000    


%chk=000091118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091118

0 1
S 2.660480 2.048955 0.476887
S -0.570658 2.004825 0.091458
S -3.687949 1.722995 -0.053695
S 5.750420 2.148293 0.302768
O 2.553438 -1.650124 -0.966231
O -8.496757 -0.172227 0.023395
O -6.834053 -1.791572 0.167908
N 4.107542 0.014752 -0.353018
N -0.465920 -0.630745 -0.077078
N -1.844625 -0.338037 -0.131107
C 1.803836 0.496940 -0.021927
C 0.412242 0.445877 -0.014571
C 2.766215 -0.494664 -0.471450
C 5.242427 -0.868069 -0.739882
C 4.300457 1.310759 0.099978
C -2.067736 0.958116 -0.045929
C -0.140855 -2.046642 0.191426
C -4.761514 0.151746 0.000749
C -6.227073 0.604885 0.000758
C 5.681606 -1.759821 0.406533
C -7.163078 -0.590226 0.073064
C 6.913839 -1.713184 0.967725
H 4.876394 -1.481254 -1.583394
H 6.066363 -0.216166 -1.073682
H -0.958453 -2.653298 -0.222968
H -0.071972 -2.214884 1.282168
H 0.815895 -2.300646 -0.292165
H -4.510522 -0.458887 -0.878656
H -4.494945 -0.408246 0.909101
H -6.450431 1.264295 0.861109
H -6.476439 1.184406 -0.907737
H 4.934843 -2.485120 0.758445
H 7.198448 -2.392051 1.779560
H 7.667812 -0.989354 0.636566
H -9.098379 -0.963926 0.076893


