%chk=000044761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044761

0 1
 S  -0.1487000      -1.507100      -1.707400    
 O    4.920500     -0.4393000       1.118100    
 O  -0.6568000     -0.2741000      -2.291200    
 O   0.1345000      -2.634800      -2.583500    
 N  -6.3100003E-02   1.671400     -0.7898000    
 N   -1.221200      -2.021500     -0.4542000    
 C   0.1741000      0.7871000      0.3415000    
 C   0.2778000       1.588500       1.649500    
 C    1.400200     -7.0799999E-02  9.6299998E-02
 C    1.175800       2.227700      -1.332800    
 C  -0.8752000       2.833400     -0.4298000    
 C    1.628800       2.283700       1.778100    
 C   0.6817000       3.374500      -2.202100    
 C  -0.6645000       3.774900      -1.606400    
 C    2.620700      0.1788000      0.7537000    
 C    2.756100       1.254800       1.802600    
 C    1.326000      -1.121100     -0.8351000    
 C    3.730700     -0.6360000      0.4789000    
 C    2.439200      -1.916400      -1.104700    
 C    3.641100      -1.674000     -0.4477000    
 C   -2.676200      -2.024400     -0.7512000    
 C  -0.8178000      -3.196500      0.3594000    
 C    5.122500      -1.147500       2.338200    
 C   -3.441500      -1.087800      0.1412000    
 C   -3.956800      -1.545400       1.354000    
 C   -3.635600      0.2391000     -0.2429000    
 C   -4.666400     -0.6761000       2.182600    
 C   -4.345100       1.108300      0.5859000    
 C   -4.860500      0.6506000       1.798600    
 H  -0.7022000      0.1551000      0.4884000    
 H   0.2297000      0.8515000       2.468600    
 H  -0.5691000       2.236000       1.892500    
 H    1.690600       1.512500      -1.985500    
 H    1.925200       2.622900     -0.6586000    
 H  -0.5317000       3.424000      0.4231000    
 H   -1.931200       2.594300     -0.2948000    
 H    1.643300       2.785700       2.756500    
 H    1.785500       3.109600       1.089000    
 H   0.5470000       3.051300      -3.241200    
 H    1.385800       4.213000      -2.200900    
 H  -0.6741000       4.825500      -1.297700    
 H   -1.453800       3.639900      -2.355500    
 H    2.767500      0.7713000       2.787200    
 H    3.706900       1.787700       1.683800    
 H    2.410000      -2.735300      -1.816700    
 H    4.504300      -2.299800     -0.6580000    
 H   -3.084900      -3.040100     -0.6690000    
 H   -2.850200      -1.746400      -1.798300    
 H   0.1981000      -3.075100      0.7422000    
 H  -0.8737000      -4.111200     -0.2378000    
 H   -1.472300      -3.301500       1.229400    
 H    6.039300     -0.7742000       2.802700    
 H    5.244800      -2.216100       2.135500    
 H    4.292100     -0.9956000       3.034000    
 H   -3.816400      -2.577100       1.664500    
 H   -3.244200      0.6059000      -1.187700    
 H   -5.068400      -1.032500       3.126500    
 H   -4.498200       2.140900      0.2864000    
 H   -5.413300       1.327300       2.443500    


%chk=000044761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044761

0 1
S -0.144301 -1.286844 -1.479466
O 4.811960 -0.385278 1.875998
O -0.682429 -0.003885 -2.333447
O 0.172787 -2.682294 -2.278211
N 0.655589 2.405936 -0.706206
N -1.467208 -1.557927 -0.105778
C 0.455240 1.382104 0.359081
C 0.451994 2.079956 1.747940
C 1.517025 0.279792 0.341473
C 1.589803 2.205070 -1.858303
C -0.596246 3.045749 -1.185479
C 1.846620 2.673378 2.015772
C 0.904073 2.913497 -3.060174
C -0.131707 3.864039 -2.405944
C 2.695346 0.409067 1.126652
C 2.915373 1.563029 2.095633
C 1.393375 -0.900401 -0.438104
C 3.696111 -0.610831 1.059890
C 2.372716 -1.899155 -0.518980
C 3.553140 -1.749156 0.234373
C -2.829198 -1.411378 -0.716121
C -1.233317 -2.887048 0.520479
C 5.896737 -1.372724 1.849500
C -3.848811 -1.128503 0.381059
C -5.028055 -1.907203 0.477278
C -3.646847 -0.068679 1.302553
C -5.997352 -1.627282 1.468844
C -4.610559 0.208711 2.295925
C -5.791019 -0.568158 2.381332
H -0.533138 0.890389 0.211727
H 0.169753 1.350162 2.534980
H -0.310116 2.880876 1.745361
H 1.758537 1.138870 -2.103239
H 2.577846 2.655412 -1.628962
H -1.045007 3.681699 -0.397981
H -1.351486 2.284077 -1.494515
H 1.858766 3.264821 2.950032
H 2.070789 3.360402 1.178605
H 0.376047 2.160503 -3.671691
H 1.626745 3.443931 -3.704310
H 0.350037 4.802746 -2.074713
H -0.967078 4.117669 -3.081685
H 2.941633 1.130955 3.117628
H 3.927745 1.980451 1.938735
H 2.205541 -2.768553 -1.163108
H 4.329609 -2.516087 0.178028
H -3.126666 -2.315780 -1.289760
H -2.768522 -0.562813 -1.424211
H -0.215195 -2.925545 0.942896
H -1.373850 -3.735422 -0.181150
H -1.955348 -2.981414 1.350839
H 6.651740 -0.984553 2.548241
H 6.333805 -1.459928 0.836506
H 5.544360 -2.364465 2.192080
H -5.191528 -2.731803 -0.227505
H -2.727562 0.523971 1.239217
H -6.907137 -2.235174 1.529354
H -4.444934 1.030922 3.001457
H -6.539527 -0.350398 3.151476


