%chk=000003595.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003595

-1 1
 S    3.130700      0.8918000       1.604200    
 O    1.643600      0.7819000      -2.515400    
 O  -0.9452000     -0.5168000      -1.405900    
 O    2.942800      -2.394300       1.263100    
 O    3.696700      -3.182800     -0.7481000    
 N    2.043900     -0.3017000     -0.4591000    
 N  -0.5437000       1.402500     -0.1139000    
 N   -2.697400       1.824400      0.5636000    
 C    1.592000      0.3690000      0.7587000    
 C   0.9300000       1.420000     -0.1484000    
 C    3.375800     -0.8713000     -0.4798000    
 C    4.254600      9.6199997E-02  0.3510000    
 C    1.532900      0.6218000      -1.321300    
 C   -1.349800       2.411700      0.5391000    
 C   -1.325600      0.4434000     -0.7522000    
 C   -2.766900      0.8295000     -0.5136000    
 C    4.826200       1.218600     -0.5324000    
 C    5.411200     -0.5868000       1.089900    
 C  -0.9166000       2.660600       1.985600    
 C   -1.356500       3.721800     -0.2591000    
 C    3.333700      -2.289300      6.7400001E-02
 C   -3.649900     -0.3402000     -0.1585000    
 C   -5.003200     -0.3288000     -0.5051000    
 C   -3.118400      -1.440400      0.5189000    
 C   -5.819900      -1.410800     -0.1764000    
 C   -3.935200      -2.522300      0.8477000    
 C   -5.285900      -2.507500      0.4999000    
 H   0.9214000     -0.2512000       1.361400    
 H    1.337100       2.435200     -8.5900001E-02
 H    3.723800     -0.8965000      -1.520600    
 H   -3.115700       1.303500      -1.440800    
 H   -3.423900       2.529700      0.4544000    
 H    5.490500      0.8015000      -1.298600    
 H    4.046900       1.784300      -1.053300    
 H    5.417300       1.933200      5.2900001E-02
 H    6.061600      0.1512000       1.575600    
 H    5.083600      -1.276300       1.873700    
 H    6.037100      -1.150300      0.3880000    
 H   -1.596300       3.354700       2.493400    
 H  -0.8936000       1.728400       2.562900    
 H   8.9500003E-02   3.092700       2.030200    
 H   -1.676600       3.562200      -1.295500    
 H   -2.029200       4.460800      0.1910000    
 H  -0.3552000       4.165300     -0.2970000    
 H   -5.431800      0.5205000      -1.030800    
 H   -2.077100      -1.474600      0.8269000    
 H   -6.871800      -1.398900     -0.4464000    
 H   -3.521100      -3.374000       1.379600    
 H   -5.922100      -3.349300      0.7571000    


%chk=000003595-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003595

-1 1
S 2.895052 -0.473592 1.452380
O 1.766931 2.406438 -2.016702
O -1.080744 -1.003120 -1.323219
O 3.111012 -2.466138 -1.503037
O 5.131082 -1.760777 -2.481149
N 2.455704 0.251921 -1.091245
N -0.665430 1.024055 -0.158010
N -2.799329 2.020671 -0.282884
C 1.650625 -0.316382 0.008789
C 0.781841 1.001516 -0.027911
C 3.854915 -0.156146 -1.203497
C 4.420884 -0.062944 0.279320
C 1.702804 1.413958 -1.248647
C -1.473384 2.175231 0.398502
C -1.453625 0.081799 -0.795878
C -2.920297 0.614130 -0.755407
C 4.878998 1.379388 0.592996
C 5.533444 -1.086706 0.561043
C -1.618860 2.013513 1.929622
C -0.852275 3.536687 0.027124
C 4.034374 -1.612794 -1.807918
C -3.859019 -0.265165 0.086433
C -3.864966 -1.673661 -0.089741
C -4.761749 0.321567 1.005417
C -4.762075 -2.476954 0.649334
C -5.661068 -0.484160 1.740839
C -5.665921 -1.887388 1.564947
H 1.191190 -1.285137 -0.214439
H 1.061089 1.625875 0.839409
H 4.403251 0.561051 -1.838972
H -3.287356 0.598002 -1.800532
H -2.865325 2.678479 -1.071404
H 5.797521 1.612159 0.017476
H 4.102101 2.115681 0.318240
H 5.102629 1.500059 1.668762
H 5.932797 -0.958870 1.585232
H 5.148856 -2.112066 0.442490
H 6.349859 -0.953267 -0.172687
H -2.186422 2.865959 2.342949
H -2.159541 1.082621 2.167526
H -0.627723 1.979701 2.418385
H -0.534429 3.551709 -1.030452
H -1.594998 4.334991 0.212022
H 0.036601 3.755121 0.642772
H -3.151640 -2.128051 -0.786591
H -4.735391 1.409638 1.127880
H -4.751171 -3.564674 0.512262
H -6.354987 -0.017289 2.450636
H -6.361532 -2.514341 2.135634


