%chk=000003634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003634

0 1
 S   -3.688800      0.9843000      7.1000000E-03
 O  -0.2907000      -1.815400     -0.3581000    
 O   -2.970300       4.240500      -1.117200    
 N    5.177500     -0.4126000     -0.1194000    
 N    1.492100     -8.3200000E-02 -0.1056000    
 C    3.787400     -0.8553000     -0.1278000    
 C    2.851600      0.3489000     -7.9800002E-02
 C   0.4014000      0.8191000     -4.8200000E-02
 C  -0.9436000      0.4091000     -5.2400000E-02
 C   -1.958500       1.366000      2.6500000E-02
 C    6.083300      -1.559400     -0.2023000    
 C    5.460500      0.3728000       1.082900    
 C   -1.608500       2.724600      0.1092000    
 C   -1.221600      -1.043700     -0.1429000    
 C   0.7335000       2.170500      3.5999998E-02
 C   -2.586300      -1.595400      2.9300001E-02
 C  -0.2723000       3.124500      0.1151000    
 C   -3.720700     -0.7841000      0.1139000    
 C    5.806500      -2.389000      -1.444500    
 C    6.886900      0.8956000       1.073900    
 C   -2.633200       3.816200      0.1949000    
 C   -2.722500      -2.992800      0.1073000    
 C   -4.979300      -1.388300      0.2764000    
 C   -3.977300      -3.577800      0.2704000    
 C   -5.107200      -2.774900      0.3553000    
 H    3.575300      -1.533400      0.7100000    
 H    3.544500      -1.394900      -1.049900    
 H    3.070000       1.007200     -0.9300000    
 H    2.985600      0.8990000      0.8544000    
 H    1.294500      -1.073500     -0.1611000    
 H    7.121400      -1.224400     -0.2960000    
 H    6.019300      -2.197500      0.6881000    
 H    4.853500       1.280400       1.122100    
 H    5.275100     -0.1963000       2.002400    
 H    1.752100       2.544100      4.2199999E-02
 H  -1.8000000E-03   4.175400      0.1761000    
 H    4.905200      -3.002300      -1.347200    
 H    5.721200      -1.765600      -2.341100    
 H    6.636800      -3.084800      -1.611300    
 H    7.620200      0.1142000       1.295600    
 H    7.142800       1.363400      0.1169000    
 H    7.003500       1.659600       1.851100    
 H   -3.537300       3.540100      0.7445000    
 H   -2.220700       4.679800      0.7314000    
 H   -1.857300      -3.648700      4.7100000E-02
 H   -5.882400     -0.7841000      0.3427000    
 H   -4.070100      -4.658000      0.3309000    
 H   -6.087600      -3.224400      0.4813000    
 H   -3.609700       4.967600      -1.027300    


%chk=000003634-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003634

0 1
S -3.722757 1.025852 -0.225673
O -0.255493 -1.886783 0.246402
O -3.415146 3.773284 -1.615431
N 5.224020 -0.627047 0.127074
N 1.496475 -0.044814 0.023026
C 3.783864 -0.965602 0.045025
C 2.917508 0.311024 -0.009063
C 0.472743 0.865052 -0.062249
C -0.925689 0.418038 -0.020769
C -1.943649 1.424337 -0.139452
C 6.100374 -1.585758 -0.598736
C 5.673877 -0.367965 1.522973
C -1.646849 2.808023 -0.241608
C -1.214155 -1.012151 0.173286
C 0.755290 2.259870 -0.188691
C -2.604958 -1.525496 0.333072
C -0.282861 3.190766 -0.265246
C -3.771728 -0.729916 0.206833
C 6.024976 -1.427298 -2.129126
C 6.885481 0.580679 1.598828
C -2.722695 3.863413 -0.304245
C -2.766630 -2.911113 0.627320
C -5.062607 -1.297755 0.360883
C -4.039131 -3.480252 0.786267
C -5.195389 -2.667396 0.651276
H 3.451708 -1.603620 0.901413
H 3.600366 -1.551231 -0.873797
H 3.171351 0.867023 -0.934043
H 3.174533 0.973960 0.844476
H 1.175267 -1.033340 0.120271
H 7.140496 -1.394951 -0.277889
H 5.871689 -2.644447 -0.314605
H 4.830630 0.094560 2.069247
H 5.906092 -1.323947 2.057548
H 1.792896 2.599253 -0.221648
H -0.042896 4.257206 -0.354942
H 5.008007 -1.622343 -2.515441
H 6.307642 -0.400290 -2.418672
H 6.711342 -2.138809 -2.625145
H 7.768607 0.164626 1.081024
H 6.640627 1.547792 1.126306
H 7.170113 0.760683 2.652453
H -3.456171 3.720514 0.519079
H -2.260306 4.864927 -0.196316
H -1.853293 -3.506533 0.717717
H -5.951783 -0.666408 0.254914
H -4.140670 -4.546774 1.012105
H -6.193895 -3.101234 0.773094
H -4.333224 4.135491 -1.526226


