%chk=000107496.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107496

0 1
 S   0.4802000      0.9641000     -0.6006000    
 O   6.8999998E-02   1.596600      -1.897200    
 O    2.376800      -2.563800       1.401600    
 O    4.923800       1.387800       1.109400    
 O    5.044800     -0.4867000     -0.1819000    
 O   -1.897600      -1.685200      -1.624800    
 N    2.404300     -0.8070000     -0.1725000    
 N  -0.5443000      -1.925500      0.2454000    
 C    1.250500     -0.6888000      -1.071800    
 C    2.218200       1.594100     -0.1645000    
 C    2.896400      0.3763000      0.5012000    
 C   0.7338000      -2.003400     -0.4673000    
 C    1.976200      -1.947100      0.4405000    
 C    2.914500       2.078700      -1.445600    
 C    2.061100       2.755800      0.8196000    
 C    4.388900      0.3509000      0.4196000    
 C   -1.770900      -1.770400     -0.4060000    
 C   -2.933100      -1.716800      0.5662000    
 C   -3.714700     -0.4319000      0.4908000    
 C   -3.346800      0.6394000       1.292700    
 C   -4.791400     -0.3371000     -0.3798000    
 C   -4.070500       1.829800       1.222900    
 C   -5.515000      0.8534000     -0.4495000    
 C   -5.154400       1.936800      0.3517000    
 H    1.533700     -0.7522000      -2.127600    
 H    2.612300      0.2834000       1.557800    
 H   0.7617000      -2.856500      -1.155300    
 H    3.030800       1.274900      -2.180300    
 H    2.346300       2.882200      -1.928300    
 H    3.910600       2.480800      -1.231700    
 H    1.543800       2.441600       1.733400    
 H    3.030400       3.172700       1.110000    
 H    1.472100       3.569300      0.3798000    
 H  -0.5465000      -1.983600       1.261000    
 H    5.903900       1.389400       1.067200    
 H   -3.586500      -2.569300      0.3394000    
 H   -2.598500      -1.879300       1.598000    
 H   -2.502200      0.5668000       1.972100    
 H   -5.079300      -1.174100      -1.009500    
 H   -3.789100       2.673700       1.845900    
 H   -6.358700      0.9371000      -1.128300    
 H   -5.717600       2.863900      0.2968000    


%chk=000107496-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107496

0 1
S 0.477611 1.192512 -1.010723
O 0.348819 1.511924 -2.638880
O 1.243046 -1.392829 2.435235
O 5.129953 1.346683 1.030367
O 4.919999 -0.595446 -0.240384
O -1.651731 -3.550608 -0.785895
N 2.066403 -0.538086 0.306190
N -1.134190 -1.471456 0.122304
C 1.156643 -0.652608 -0.837239
C 2.464567 1.755447 -0.519287
C 2.897726 0.650019 0.514693
C 0.286343 -1.663841 -0.004876
C 1.218868 -1.254214 1.203325
C 3.160228 1.733102 -1.875151
C 2.367983 3.146124 0.108557
C 4.394967 0.349542 0.374835
C -2.033630 -2.454312 -0.284860
C -3.527515 -2.133163 -0.077935
C -3.860556 -0.728288 0.397459
C -4.125323 -0.466858 1.767359
C -3.893520 0.356249 -0.520353
C -4.419905 0.843057 2.210656
C -4.186591 1.666469 -0.080279
C -4.451365 1.913797 1.287495
H 1.546136 -0.926241 -1.829961
H 2.730415 1.020421 1.543494
H 0.446790 -2.707016 -0.335030
H 3.511824 0.726659 -2.159719
H 2.438103 2.061859 -2.655373
H 4.022478 2.424838 -1.883534
H 1.683734 3.167680 0.976198
H 3.368907 3.464670 0.458183
H 2.014881 3.885245 -0.631851
H -1.509045 -0.606466 0.520604
H 6.103961 1.169805 0.925109
H -4.014375 -2.354751 -1.045343
H -3.904496 -2.891559 0.633339
H -4.105502 -1.293837 2.487723
H -3.693822 0.172179 -1.583143
H -4.627290 1.025622 3.270869
H -4.210801 2.489876 -0.802451
H -4.683730 2.928602 1.628774


