%chk=000086985.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086985

1 1
 S   0.9895000      -1.146200      -1.793600    
 O  -0.3897000      -2.653900      0.4841000    
 O   -2.949100       2.016400     -0.9510000    
 N   -3.976100      0.4254000       1.099700    
 N   -4.885700      0.7124000       1.629600    
 C  -0.4978000     -0.6950000     -0.9119000    
 C   -1.005300      -1.495200      0.1122000    
 C    2.237700     -0.3514000     -0.8009000    
 C   -1.154600      0.4842000      -1.265100    
 C   -2.318100      0.8626000     -0.5950000    
 C   -2.168800      -1.116800      0.7822000    
 C   -2.825000      6.1999999E-02  0.4287000    
 C    4.192700      0.8926000      0.7529000    
 C    2.824200      -1.037100      0.2629000    
 C    2.628900      0.9565000      -1.087900    
 C    3.801600     -0.4151000       1.039800    
 C    3.606300       1.578400     -0.3110000    
 C    5.236900       1.558000       1.583900    
 C  -0.7943000      -3.845100     -0.1863000    
 C   -2.553100       3.207100     -0.2735000    
 H  -0.7714000       1.117400      -2.062500    
 H   -2.563200      -1.740500       1.580800    
 H    2.535100      -2.057800      0.5009000    
 H    2.184000       1.507000      -1.913200    
 H    4.252400     -0.9605000       1.864700    
 H    3.903800       2.597100     -0.5454000    
 H    5.074600       2.640200       1.630400    
 H    5.217700       1.187000       2.614300    
 H    6.229000       1.370000       1.161800    
 H  -0.7235000      -3.736400      -1.272900    
 H   -1.819700      -4.105200      9.4800003E-02
 H  -0.1309000      -4.656000      0.1270000    
 H   -3.158600       4.034700     -0.6529000    
 H   -1.498700       3.426200     -0.4699000    
 H   -2.722700       3.114800      0.8039000    


%chk=000086985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086985

1 1
S 0.746547 0.136309 -1.737344
O 0.136841 -1.222603 1.174155
O -4.085390 1.876703 -0.888937
N -4.233379 0.737384 1.514804
N -5.224256 0.914792 2.104810
C -0.716128 0.214446 -0.683437
C -0.863779 -0.447284 0.598045
C 2.206828 -0.004062 -0.612629
C -1.794260 0.975413 -1.216152
C -2.988960 1.151770 -0.501412
C -2.035396 -0.264290 1.336894
C -3.092560 0.538615 0.805472
C 4.604991 -0.109301 0.892313
C 3.211068 -0.928786 -0.973129
C 2.380059 0.877368 0.477880
C 4.403725 -0.971647 -0.217527
C 3.571030 0.809588 1.226077
C 5.895039 -0.142246 1.685787
C 0.387635 -2.563091 0.574344
C -4.079646 2.553509 -2.209731
H -1.663976 1.468176 -2.183838
H -2.132716 -0.757511 2.308071
H 3.076461 -1.601127 -1.827072
H 1.606825 1.606450 0.740308
H 5.186753 -1.684803 -0.497201
H 3.707001 1.487957 2.075987
H 5.705499 -0.074934 2.771648
H 6.471471 -1.062342 1.493827
H 6.541534 0.715323 1.417450
H 0.585762 -2.489690 -0.509513
H -0.480307 -3.220151 0.763466
H 1.277051 -2.940866 1.096022
H -5.064651 3.032584 -2.277261
H -3.957760 1.811460 -3.017786
H -3.280855 3.314683 -2.242790


