%chk=000158874.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158874

1 1
 S    1.075600      0.4209000     -0.9746000    
 O   0.3576000      -2.878200       1.054700    
 O    1.573700     -0.1893000      -2.190900    
 O   5.3399999E-02   1.447300      -1.013400    
 O    2.263100      -2.343200     -0.1430000    
 N    2.389500      0.9291000      1.5200000E-02
 N  -0.8068000     -0.9479000      0.4228000    
 N  -0.8955000      -2.148600       1.245500    
 C   0.3609000     -0.8777000     -9.2399999E-02
 C    2.055100       1.406000       1.381700    
 C    3.429600       1.770900     -0.6300000    
 C   -1.907400     -7.4299999E-02  0.3025000    
 C    1.141100      -2.112100      0.2528000    
 C   -2.861000     -0.2354000     -0.7112000    
 C    3.175700       1.097700       2.360200    
 C    4.552200      0.9183000      -1.196500    
 C   -2.052700      0.9779000       1.215400    
 C   -3.941600      0.6412000     -0.8097000    
 C   -2.751300      -1.342700      -1.710700    
 C   -3.133500       1.854300       1.117000    
 C   -4.077700       1.686000      0.1045000    
 H    1.846100       2.481600       1.363300    
 H    1.153000      0.9085000       1.747300    
 H    2.972900       2.361200      -1.433400    
 H    3.850500       2.502200      6.7800000E-02
 H  -0.8290000      -1.893300       2.230600    
 H    3.399200      2.5500000E-02   2.368400    
 H    4.099700       1.628100       2.112700    
 H    2.883500       1.392600       3.373100    
 H    5.026200      0.3267000     -0.4063000    
 H    4.186700      0.2238000      -1.958300    
 H    5.316900       1.552600      -1.655400    
 H   -1.329900       1.126000       2.014500    
 H   -4.687300      0.5257000      -1.591800    
 H   -1.819600      -1.257900      -2.280000    
 H   -2.787400      -2.317400      -1.213200    
 H   -3.573200      -1.320200      -2.434900    
 H   -3.239900       2.667500       1.829000    
 H   -4.919000       2.368600      2.8000001E-02


%chk=000158874-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158874

1 1
S 0.867073 0.810541 -1.096104
O 0.365203 -3.026736 0.718647
O 1.162818 0.304745 -2.608912
O -0.322674 1.857962 -0.750186
O 2.360829 -2.288730 -0.399498
N 2.485508 1.031531 0.009486
N -0.869553 -1.120752 0.345819
N -0.943650 -2.475174 0.769328
C 0.325151 -0.860701 -0.193394
C 2.322966 2.306959 0.788929
C 3.702107 0.955453 -0.875716
C -2.086942 -0.331271 0.447639
C 1.221529 -2.012662 -0.064177
C -2.831843 -0.026788 -0.726184
C 3.284255 2.279690 1.998971
C 4.777128 0.049134 -0.235861
C -2.487376 0.041276 1.756871
C -4.025037 0.710289 -0.517066
C -2.416858 -0.450540 -2.118339
C -3.673441 0.779790 1.913979
C -4.439876 1.113452 0.770367
H 2.526145 3.196127 0.158975
H 1.279555 2.370227 1.144638
H 3.407958 0.520007 -1.850647
H 4.087140 1.976225 -1.069751
H -1.442648 -2.650082 1.662372
H 3.143556 1.368497 2.603830
H 4.339810 2.343396 1.690371
H 3.063659 3.158484 2.630629
H 5.112819 0.425834 0.742757
H 4.404769 -0.979534 -0.114680
H 5.650498 0.023816 -0.912793
H -1.860350 -0.193890 2.625090
H -4.637670 0.965403 -1.388006
H -1.810528 0.338172 -2.602080
H -1.829947 -1.385527 -2.138445
H -3.305298 -0.607270 -2.751144
H -3.992001 1.098628 2.910309
H -5.365383 1.686020 0.885277


