%chk=000100588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100588

0 1
 S    4.440300      0.7503000     -0.3584000    
 O   0.1147000     -0.8214000       1.299000    
 O   0.5734000       3.287300     -0.7213000    
 O    5.710000      -1.997900     -0.9112000    
 N   -1.728100      0.2584000      0.4482000    
 N   0.4146000       1.246200      0.2959000    
 N  -0.2242000       2.400000     -0.4000000    
 C   -2.662300     -0.7801000      0.8222000    
 C   -2.773800      -1.842600     -0.2763000    
 C   -4.034000     -0.1894000       1.165200    
 C   -3.519800      -1.332800      -1.509400    
 C   -4.778000      0.3175000     -7.0200004E-02
 C   -4.886100     -0.7605000      -1.144300    
 C  -0.3653000      0.1597000      0.7219000    
 C    1.855400       1.277600      0.5138000    
 C    2.644700      0.6616000     -0.6335000    
 C    4.601200     -0.6593000      0.7607000    
 C    4.617300      -1.974600     -2.0999999E-03
 H   -2.271700      -1.265300       1.725300    
 H   -3.310500      -2.712400      0.1238000    
 H   -1.779300      -2.195300     -0.5747000    
 H   -3.926300      0.6299000       1.886000    
 H   -4.643700     -0.9621000       1.650700    
 H   -2.922100     -0.5621000      -2.011100    
 H   -3.645100      -2.152300      -2.226300    
 H   -5.783000      0.6453000      0.2196000    
 H   -4.269400       1.197000     -0.4822000    
 H   -5.362700     -0.3438000      -2.038700    
 H   -5.534700      -1.568900     -0.7847000    
 H   -2.080300       1.031200     -0.1040000    
 H    2.053100      0.7222000       1.437800    
 H    2.174200       2.307900      0.7126000    
 H    2.436500       1.216600      -1.555100    
 H    2.329700     -0.3690000     -0.8224000    
 H    3.816900     -0.6572000       1.521700    
 H    5.558800     -0.5352000       1.278000    
 H    4.747000      -2.803400      0.7019000    
 H    3.690300      -2.146500     -0.5571000    
 H    5.690100      -2.860600      -1.359300    


%chk=000100588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100588

0 1
S 4.439752 0.632776 -0.337017
O 0.355895 -0.691467 1.113481
O 0.259520 3.517564 -0.759599
O 5.906884 -2.288168 -0.342597
N -1.665248 0.317715 0.473039
N 0.389639 1.483447 0.216778
N -0.387909 2.486459 -0.369126
C -2.537919 -0.821975 0.844489
C -2.644403 -1.858262 -0.308741
C -3.936655 -0.291150 1.244488
C -3.437367 -1.310273 -1.518276
C -4.738161 0.249654 0.033423
C -4.838559 -0.809582 -1.090873
C -0.311145 0.273403 0.637489
C 1.858950 1.570069 0.382133
C 2.614551 0.860877 -0.765087
C 4.262989 -0.914682 0.753024
C 4.476498 -2.214175 -0.016506
H -2.058543 -1.309369 1.713280
H -3.156345 -2.757405 0.090841
H -1.627723 -2.173346 -0.608373
H -3.833746 0.483856 2.027887
H -4.497397 -1.133662 1.695035
H -2.874238 -0.475614 -1.984285
H -3.531409 -2.096316 -2.291491
H -5.748220 0.554574 0.366627
H -4.261169 1.168197 -0.370363
H -5.378876 -0.391396 -1.961517
H -5.436083 -1.670034 -0.724258
H -2.061654 1.167905 0.060554
H 2.104942 1.096233 1.345209
H 2.124667 2.639448 0.416568
H 2.584787 1.450425 -1.695615
H 2.184349 -0.136705 -0.954380
H 3.258640 -0.894570 1.210952
H 5.023041 -0.819556 1.545488
H 4.180869 -3.069974 0.630974
H 3.843880 -2.228701 -0.929347
H 6.060717 -2.980221 -1.032307


