%chk=000057720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057720

0 1
 S    1.354000      -1.973000      0.1803000    
 O   -2.868000     -0.6689000       1.291800    
 O   -2.938900      -1.013600      -1.093000    
 N    4.632200      0.3859000     -0.1531000    
 C   -2.762800      -1.625600      0.2085000    
 C   -1.373500      -2.260500      0.2590000    
 C  -0.2884000      -1.202500      0.1156000    
 C   -3.848300      -2.685200      0.3940000    
 C    3.835900     -0.8276000      3.5999999E-03
 C   -3.104400      0.4857000      0.6090000    
 C   -3.144800      0.2889000     -0.7522000    
 C    2.352800     -0.4791000     -1.3500000E-02
 C    6.059600      6.4400002E-02 -0.1748000    
 C    4.340300       1.334400      0.9222000    
 C   -3.288800       1.733100       1.168300    
 C   -3.371600       1.328800      -1.630000    
 C    6.383800     -0.9202000      -1.285500    
 C    5.114100       2.628800      0.7377000    
 C   -3.520900       2.803700      0.3016000    
 C   -3.562200       2.602600      -1.089500    
 H   -1.277300      -2.997000     -0.5491000    
 H   -1.245600      -2.783400       1.215800    
 H  -0.3748000     -0.6795000     -0.8415000    
 H  -0.3446000     -0.4699000      0.9262000    
 H   -3.759600      -3.180500       1.366500    
 H   -3.809600      -3.437900     -0.4004000    
 H   -4.842600      -2.225500      0.3553000    
 H    4.099100      -1.352600      0.9320000    
 H    4.004700      -1.516600     -0.8311000    
 H    2.059300      0.1525000      0.8265000    
 H    2.081700      1.9800000E-02 -0.9503000    
 H    6.404200     -0.3384000      0.7860000    
 H    6.652700      0.9590000     -0.3906000    
 H    4.547600      0.9125000       1.913600    
 H    3.294500       1.650500      0.9058000    
 H   -3.255900       1.883700       2.241200    
 H   -3.402300       1.169400      -2.701700    
 H    7.468800     -0.9541000      -1.437900    
 H    5.932100     -0.6239000      -2.238500    
 H    6.074500      -1.941900      -1.044100    
 H    4.712100       3.396300       1.409100    
 H    5.026800       3.012700     -0.2846000    
 H    6.173900       2.522100      0.9886000    
 H   -3.671000       3.801800      0.7043000    
 H   -3.743800       3.447300      -1.748600    


%chk=000057720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057720

0 1
S 1.442852 -1.957026 0.704970
O -2.973446 -0.426987 1.234897
O -2.824380 -1.058667 -1.081269
N 4.942568 0.242322 0.196279
C -2.744102 -1.613419 0.324241
C -1.338601 -2.171794 0.568557
C -0.225891 -1.136697 0.344682
C -3.881500 -2.611857 0.523270
C 4.035073 -0.914026 0.409868
C -3.414442 0.627949 0.403696
C -3.326088 0.257088 -0.957164
C 2.563002 -0.477810 0.303140
C 6.199506 -0.118348 -0.513121
C 5.176323 1.022411 1.442297
C -3.859158 1.892798 0.797555
C -3.678369 1.134215 -1.986400
C 5.988610 -0.374434 -2.017597
C 5.541710 2.494778 1.172891
C -4.224831 2.797290 -0.239487
C -4.136320 2.426154 -1.601303
H -1.193709 -3.036657 -0.105823
H -1.301645 -2.551599 1.607150
H -0.222534 -0.786180 -0.700399
H -0.348176 -0.278233 1.025315
H -3.877853 -2.988660 1.560264
H -3.764299 -3.462619 -0.169339
H -4.851767 -2.125719 0.326466
H 4.212235 -1.407360 1.396955
H 4.232513 -1.676803 -0.364090
H 2.330133 0.332586 1.015775
H 2.342639 -0.132623 -0.720705
H 6.693040 -1.006865 -0.042908
H 6.902687 0.726335 -0.397724
H 5.966147 0.545308 2.077102
H 4.243498 0.995148 2.035982
H -3.920691 2.170006 1.853251
H -3.603386 0.837832 -3.035991
H 6.951158 -0.616566 -2.506112
H 5.561837 0.522438 -2.499174
H 5.300179 -1.219478 -2.201353
H 5.672588 3.040942 2.125852
H 4.741554 2.983009 0.589915
H 6.483507 2.589639 0.602355
H -4.581801 3.797217 0.027948
H -4.425372 3.141463 -2.378214


