%chk=000145816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145816

0 1
 S   -3.667000      0.3048000     -0.5773000    
 O   0.4072000      -1.841500     -0.8833000    
 O   -6.147600      -1.441500     -6.0100000E-02
 N   0.3610000       1.147400     -0.4757000    
 N    2.120000       2.285400      0.3052000    
 N    3.554400      0.3411000      0.5354000    
 N    2.577600      -1.777600     -0.1094000    
 N    4.773900      -1.604200      0.6897000    
 C  -0.9705000      0.9083000     -0.9785000    
 C    1.344500      0.2249000     -0.2597000    
 C   -2.010500      0.6195000      0.1040000    
 C    2.402600      0.9557000      0.2166000    
 C   0.8753000       2.370900     -0.1214000    
 C    1.359300      -1.198800     -0.4562000    
 C    3.569600      -1.039300      0.3447000    
 C   -4.539000      2.3499999E-02  0.9802000    
 C   -6.010700     -0.2785000      0.7458000    
 H   -1.258700       1.804500      -1.543300    
 H  -0.9155000      9.2299998E-02  -1.706900    
 H   -1.701600     -0.2560000      0.6859000    
 H   -2.070200       1.469800      0.7926000    
 H   0.2979000       3.282600     -0.1941000    
 H    4.371800      0.8249000      0.8917000    
 H   -4.068500     -0.8293000       1.480700    
 H   -4.441700      0.9062000       1.619600    
 H   -6.526600      0.5544000      0.2559000    
 H   -6.512100     -0.4693000       1.699600    
 H    5.541400      -1.041800       1.040500    
 H    4.928400      -2.602800      0.6030000    
 H   -5.690100      -1.268400     -0.9005000    


%chk=000145816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145816

0 1
S -4.108192 1.905356 -0.100402
O -0.666601 -1.713210 -0.426539
O -2.803864 -1.046212 1.047132
N 0.028243 1.374305 -0.428047
N 2.160833 2.083678 0.028492
N 3.126229 -0.181099 0.341873
N 1.607611 -2.039018 0.045764
N 3.852723 -2.430376 0.543580
C -1.418287 1.432497 -0.766356
C 0.793000 0.215921 -0.189674
C -2.286911 1.887673 0.425304
C 2.085713 0.704656 0.079537
C 0.886448 2.452228 -0.282871
C 0.493621 -1.214539 -0.205633
C 2.823683 -1.545561 0.301169
C -4.780000 0.327756 0.718554
C -4.073384 -0.976533 0.334940
H -1.547726 2.118245 -1.622837
H -1.717209 0.421923 -1.082106
H -2.195742 1.181536 1.264263
H -2.038460 2.913770 0.745521
H 0.564747 3.481859 -0.418313
H 4.058842 0.185285 0.542069
H -4.736858 0.462589 1.812264
H -5.838063 0.312440 0.399357
H -3.941789 -1.031814 -0.766345
H -4.723525 -1.825872 0.643678
H 4.806477 -2.144927 0.747358
H 3.610699 -3.418313 0.519655
H -2.067660 -1.427041 0.473312


