%chk=000003110.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003110

-1 1
 S    3.954300     -0.7613000     -0.8059000    
 O   1.5000000E-02  -1.671200      0.5537000    
 O    5.210700     -0.1995000      -1.299100    
 O    4.094100      -2.007700     -5.6200001E-02
 O    2.855100     -0.7376000      -1.768600    
 N  -0.8269000       1.615600     -0.1590000    
 N   -1.206900      0.2675000     -7.7799998E-02
 N    2.187200      0.1008000       1.112100    
 C   0.9907000      0.5085000      0.6400000    
 C   0.4744000       1.706900      0.3297000    
 C  -9.9500000E-02 -0.4730000      0.3487000    
 C    3.451900      0.4201000      0.4333000    
 C   -2.556400     -0.1654000     -9.9799998E-02
 C    1.175300       3.021000      0.4210000    
 C   -1.244700       2.386700      -1.325800    
 C    2.308800     -0.6178000       2.384000    
 C   -2.859400      -1.517700     -0.2867000    
 C   -3.594600      0.7566000      6.4999998E-02
 C   -4.187400      -1.943700     -0.3084000    
 C   -4.922700      0.3306000      4.3200001E-02
 C   -5.219000      -1.019500     -0.1435000    
 H    4.273000      0.4858000       1.156800    
 H    3.396400       1.388900     -7.4500002E-02
 H    1.462300       3.375600     -0.5737000    
 H    2.075600       2.966800       1.040500    
 H   0.5197000       3.769300      0.8791000    
 H   -1.274600       3.453500      -1.080100    
 H   -2.231500       2.110500      -1.704500    
 H  -0.5357000       2.243700      -2.149700    
 H    3.060800     -0.1451000       3.024500    
 H    2.600600      -1.657400       2.207300    
 H    1.363000     -0.6194000       2.937900    
 H   -2.087700      -2.263400     -0.4477000    
 H   -3.406600       1.810100      0.2515000    
 H   -4.419000      -2.993900     -0.4600000    
 H   -5.726000       1.048500      0.1802000    
 H   -6.253100      -1.351200     -0.1599000    


%chk=000003110-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000003110

-1 1
S 4.701326 1.005648 0.205566
O -0.493544 -1.788371 1.201873
O 5.534475 2.234159 0.933141
O 5.447581 -0.470387 0.241153
O 4.078950 1.390442 -1.294544
N -0.879366 1.334695 -0.482346
N -1.362488 0.048404 -0.051681
N 2.105159 -0.176483 1.093601
C 0.887176 0.175042 0.480201
C 0.531735 1.341776 -0.202152
C -0.312780 -0.675859 0.609340
C 3.083843 0.778820 1.474051
C -2.755763 -0.149959 0.142503
C 1.367680 2.503358 -0.646030
C -1.303136 1.670577 -1.873559
C 2.552183 -1.593568 1.079805
C -3.269947 -1.472539 0.241076
C -3.641242 0.958611 0.240445
C -4.653978 -1.669014 0.425623
C -5.025135 0.742373 0.409240
C -5.543630 -0.570373 0.500871
H 3.654762 0.458320 2.361292
H 2.701293 1.803182 1.563078
H 2.396967 2.158072 -0.923003
H 1.468104 3.268976 0.148807
H 0.931640 3.007988 -1.525470
H -1.092744 2.734480 -2.060002
H -2.388073 1.508225 -1.966898
H -0.773716 1.051387 -2.625239
H 3.128371 -1.789855 2.002160
H 3.229108 -1.776058 0.225192
H 1.674713 -2.255523 1.053698
H -2.577603 -2.315405 0.197362
H -3.229415 1.972435 0.221119
H -5.039531 -2.692260 0.505869
H -5.697116 1.605613 0.485212
H -6.618661 -0.734727 0.636244


