%chk=000090058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090058

1 1
 S    1.358500      -1.115200      0.7234000    
 O    1.968600     -0.1260000     -0.4260000    
 O   -4.865500     -0.1959000     -0.7145000    
 O    1.217300     -0.3725000       1.964100    
 O    2.092700      -2.369000      0.6711000    
 N   -4.361600       2.365000      0.1662000    
 N   -5.154300       3.114700      0.1677000    
 C   -1.296500     -0.4911000      0.1771000    
 C  -0.2765000      -1.456500      0.1770000    
 C   -2.587500     -0.8484000     -0.2791000    
 C  -0.5258000      -2.755500     -0.2667000    
 C   -1.063300      0.8212000      0.6199000    
 C   -3.607500      0.1168000     -0.2791000    
 C   -2.820500      -2.160600     -0.7222000    
 C   -1.795500      -3.106800     -0.7155000    
 C   -3.358200       1.416000      0.1645000    
 C   -2.088400       1.767400      0.6130000    
 C    3.243500      0.3841000     -0.3833000    
 C    4.076200      5.8600001E-02  0.6789000    
 C    3.680500       1.219300      -1.402800    
 C    5.370100      0.5780000      0.7225000    
 C    4.974500       1.738500      -1.359300    
 C    5.819300       1.417800     -0.2967000    
 H   0.2413000      -3.523300     -0.2838000    
 H  -9.4999999E-02   1.188400      0.9362000    
 H   -3.785900      -2.486500      -1.098800    
 H   -1.987800      -4.117100      -1.065300    
 H   -1.884500       2.780500      0.9500000    
 H    3.788500     -0.5850000       1.501200    
 H    3.025000       1.471300      -2.231300    
 H   -5.060200      -1.128600     -0.5322000    
 H    6.028500      0.3293000       1.549800    
 H    5.324200       2.392600      -2.152600    
 H    6.826700       1.822200     -0.2627000    


%chk=000090058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090058

1 1
S 1.383080 -1.406578 0.909690
O 1.929604 0.241597 -0.291374
O -4.911263 0.143292 -0.746972
O 1.189571 -0.959703 2.470906
O 2.160785 -2.787946 0.534599
N -4.467649 2.174642 0.867328
N -5.340647 2.928859 1.003821
C -1.359249 -0.573238 0.333169
C -0.344618 -1.543044 0.094879
C -2.621638 -0.778403 -0.365661
C -0.511795 -2.640846 -0.747440
C -1.184126 0.560677 1.212652
C -3.670220 0.177811 -0.168289
C -2.793865 -1.912589 -1.227401
C -1.760235 -2.831147 -1.410918
C -3.444662 1.287413 0.705500
C -2.195990 1.479905 1.402811
C 3.255630 0.571933 -0.341621
C 3.791125 1.524442 0.585627
C 4.092245 -0.000936 -1.354281
C 5.131298 1.926414 0.466746
C 5.430583 0.412805 -1.460802
C 5.952419 1.372507 -0.552741
H 0.314625 -3.349035 -0.879880
H -0.241828 0.672695 1.755223
H -3.738049 -2.087847 -1.757925
H -1.899051 -3.696982 -2.063880
H -2.074871 2.338256 2.068411
H 3.138505 1.929340 1.365842
H 3.665145 -0.744052 -2.035122
H -5.076071 -0.623389 -1.351209
H 5.547766 2.662236 1.161705
H 6.075105 -0.008978 -2.238222
H 6.999240 1.683591 -0.634468


