%chk=000126821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126821

0 1
 S    1.228200      -1.293500      0.6074000    
 O    1.109400       2.447300     -0.4015000    
 O   -1.439400       1.563600      -1.596900    
 O   -3.479400     -0.3191000       1.635100    
 O    4.998300      -1.159600     -0.2081000    
 O    3.698300      -2.780400      0.5092000    
 N   -1.790200     -0.5983000      4.8300002E-02
 N    3.862700      -1.584900      0.1408000    
 C  -0.9568000      0.4969000      0.5138000    
 C   -1.304300       1.819800     -0.1930000    
 C  -0.1986000       2.892100      3.5700001E-02
 C   0.4951000      0.2174000      0.2964000    
 C   -1.399900      -1.287500      -1.175300    
 C   -1.540800      -2.796700      -1.023200    
 C    1.417200       1.154300     -0.1178000    
 C   -3.005600     -0.9021000      0.6617000    
 C  -0.4908000       4.154500     -0.7945000    
 C  -0.1077000       3.311400       1.514800    
 C   -2.829400      -3.205700     -0.3058000    
 C   -3.755300      -2.030400     -1.9700000E-02
 C    2.724600      0.6146000     -0.2459000    
 C    2.764200     -0.7135000      0.1186000    
 H   -1.126100      0.6224000       1.590900    
 H   -2.273500       2.195100      0.1589000    
 H  -0.4235000      -1.017000      -1.580700    
 H   -2.117100     -0.9723000      -1.945400    
 H  -0.6916000      -3.214300     -0.4727000    
 H   -1.509100      -3.260500      -2.016600    
 H   0.2732000       4.921800     -0.6220000    
 H  -0.4634000       3.938100      -1.868300    
 H   -1.469700       4.579200     -0.5491000    
 H   -1.066000       3.695900       1.879300    
 H   0.1989000       2.483700       2.162000    
 H   0.6513000       4.091100       1.649300    
 H   -2.560000      -3.683700      0.6451000    
 H   -3.359900      -3.965100     -0.8914000    
 H   -4.573500      -2.356200      0.6318000    
 H   -4.200900      -1.645500     -0.9439000    
 H   -2.324900       1.186500      -1.734200    
 H    3.588100       1.178700     -0.5767000    


%chk=000126821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126821

0 1
S 1.288557 -1.389415 0.632866
O 1.160423 2.479288 -0.414568
O -1.308933 1.705513 -1.752092
O -3.297443 -0.225667 1.702454
O 5.189542 -0.926293 -0.100835
O 3.930676 -2.717724 0.602311
N -1.833700 -0.607506 -0.078429
N 4.065659 -1.479065 0.231258
C -0.951112 0.480674 0.409155
C -1.269396 1.848706 -0.293063
C -0.215358 2.941911 0.035104
C 0.513786 0.198883 0.262064
C -1.593829 -1.353499 -1.340770
C -1.684532 -2.882501 -1.109714
C 1.459942 1.159081 -0.115035
C -2.988582 -0.883571 0.659382
C -0.451467 4.222899 -0.770206
C -0.145501 3.213393 1.552532
C -2.908630 -3.267699 -0.219899
C -3.809530 -2.042702 0.104375
C 2.806307 0.672442 -0.173535
C 2.880066 -0.665215 0.186229
H -1.234841 0.594420 1.477332
H -2.251613 2.192384 0.091340
H -0.604664 -1.068231 -1.732411
H -2.345317 -1.056824 -2.103474
H -0.748796 -3.227671 -0.635962
H -1.744102 -3.374535 -2.098376
H 0.365786 4.937856 -0.575025
H -0.485892 3.995008 -1.845764
H -1.406522 4.691314 -0.472233
H -1.135393 3.516581 1.939055
H 0.188657 2.328501 2.121095
H 0.567941 4.031504 1.746715
H -2.555904 -3.698970 0.734239
H -3.520384 -4.046010 -0.709987
H -4.581570 -2.292172 0.849867
H -4.333875 -1.708554 -0.814188
H -2.127763 1.209862 -2.001414
H 3.669407 1.271702 -0.463995


