%chk=000129345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129345

0 1
 S   -3.357900      -1.516000       1.751700    
 O  -0.5700000      0.7977000     -0.4587000    
 O    4.303100      -1.648500     -0.6986000    
 O    5.484400      0.2156000      0.9915000    
 N   -4.262000      0.9370000     -0.6214000    
 C   -2.968400      0.5721000     -9.7000003E-03
 C   -2.829000       1.374400       1.317500    
 C   -1.866500       1.044600     -0.9948000    
 C   -2.845500     -0.9470000      0.2563000    
 C   -2.894300       2.893100       1.167100    
 C   -4.393600      0.2973000      -1.924300    
 C   -5.355400      0.5529000      0.2625000    
 C   -2.366900      -1.861000     -0.5933000    
 C   0.4486000       1.280600      -1.322300    
 C   -2.413200      -3.150900      9.8999999E-03
 C   -2.930500      -3.107300       1.285800    
 C    1.787600      0.9941000     -0.7085000    
 C    2.431200     -0.2056000     -0.9899000    
 C    2.372200       1.931200      0.1359000    
 C    3.676200     -0.4718000     -0.4197000    
 C    3.616900       1.665000      0.7064000    
 C    4.269000      0.4636000      0.4285000    
 C    5.173800      -1.667300      -1.828100    
 C    5.490500     -0.4437000       2.256200    
 H   -1.854000       1.144500       1.772200    
 H   -3.554000       1.108800       2.092400    
 H   -1.892400      0.5107000      -1.949500    
 H   -1.969600       2.111200      -1.229900    
 H   -2.042700       3.286700      0.6054000    
 H   -2.859100       3.359200       2.158200    
 H   -3.819100       3.222800      0.6853000    
 H   -5.387800      0.5366000      -2.327200    
 H   -3.719700      0.7009000      -2.684500    
 H   -4.344200     -0.7944000      -1.918800    
 H   -6.286700      0.9395000     -0.1748000    
 H   -5.516400     -0.5260000      0.3444000    
 H   -5.341200       1.010700       1.253300    
 H   -1.994400      -1.686600      -1.593400    
 H   0.3738000      0.7960000      -2.304000    
 H   0.3303000       2.360300      -1.478300    
 H   -2.084000      -4.064700     -0.4678000    
 H   -3.078000      -3.933800       1.966600    
 H    1.970700     -0.9383000      -1.647800    
 H    1.872100       2.869200      0.3607000    
 H    4.072800       2.398200       1.366100    
 H    5.601300      -2.670000      -1.914400    
 H    4.618100      -1.443500      -2.744200    
 H    5.989400     -0.9491000      -1.698000    
 H    4.973700      0.1624000       3.007000    
 H    5.019900      -1.429000       2.179600    
 H    6.529900     -0.5761000       2.568500    


%chk=000129345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129345

0 1
S -3.338459 -2.281528 1.009352
O -0.588534 1.017770 -0.476539
O 3.529889 -1.353544 1.003594
O 5.777621 0.340712 0.200947
N -4.332530 0.872925 -0.371742
C -2.928619 0.426765 -0.004381
C -2.603511 0.804012 1.476978
C -1.963604 1.225171 -0.928301
C -2.730059 -1.077692 -0.220386
C -2.740897 2.302993 1.814886
C -4.744520 0.571919 -1.764753
C -5.406548 0.501070 0.577533
C -2.200065 -1.760003 -1.308672
C 0.378546 1.716969 -1.320922
C -2.255059 -3.198613 -1.209639
C -2.834989 -3.649113 -0.036639
C 1.786099 1.345985 -0.888736
C 2.029258 0.176644 -0.132832
C 2.880166 2.155262 -1.284282
C 3.344277 -0.181180 0.229791
C 4.196065 1.809682 -0.910680
C 4.438748 0.653289 -0.139008
C 4.311896 -2.414312 0.327894
C 6.056557 0.328080 1.656363
H -1.565270 0.480473 1.662900
H -3.242737 0.205763 2.153073
H -2.049626 0.907076 -1.988355
H -2.245204 2.296135 -0.866328
H -1.953435 2.896942 1.318042
H -2.628697 2.457857 2.903757
H -3.720204 2.706657 1.503358
H -5.742588 1.013528 -1.934988
H -4.056476 1.034433 -2.491695
H -4.804320 -0.518991 -1.988052
H -6.341317 0.989160 0.246473
H -5.598755 -0.596286 0.640806
H -5.182763 0.871625 1.590189
H -1.750329 -1.249077 -2.163176
H 0.213330 1.430700 -2.387041
H 0.228894 2.817823 -1.248533
H -1.870316 -3.870696 -1.980818
H -3.004427 -4.668578 0.305321
H 1.196628 -0.460751 0.176547
H 2.707653 3.064489 -1.873278
H 5.051772 2.431968 -1.191784
H 4.406826 -3.224800 1.066705
H 3.764674 -2.779531 -0.561950
H 5.308754 -2.042443 0.028619
H 5.912911 1.340862 2.078770
H 5.400330 -0.390750 2.178977
H 7.111962 0.029448 1.749735


