%chk=000068350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068350

0 1
 S    3.020200       1.683100      0.3604000    
 O    3.176100       2.026200       1.768000    
 O    3.433900       2.631200     -0.6648000    
 O   -3.499000     -0.1793000       1.398600    
 O   -8.317500      -1.292100      0.7846000    
 O   -7.593500     -0.7436000      -1.298900    
 N   -2.677100      0.4371000     -0.7155000    
 N    6.207500      -3.282700     -0.3719000    
 C    1.343000       1.316900      4.3499999E-02
 C    3.970200      0.2024000      0.1417000    
 C   -1.318000      0.7351000     -0.4587000    
 C   0.8327000       1.445300      -1.248300    
 C   0.5131000      0.8955000       1.082400    
 C  -0.5074000       1.152400      -1.501200    
 C  -0.8270000      0.6024000      0.8295000    
 C    4.489800     -8.3099999E-02  -1.106300    
 C    4.169500     -0.6322000       1.224500    
 C   -4.986200     -0.2049000     -0.4714000    
 C    5.237500      -1.248100      -1.278000    
 C    4.917200      -1.797100       1.052800    
 C   -3.636500      9.3000000E-03  0.1933000    
 C    5.451200      -2.105000     -0.1984000    
 C   -6.026400     -0.6736000      0.5384000    
 C   -7.373300     -0.8950000     -0.1043000    
 H    1.461200       1.763700      -2.075200    
 H   0.8927000      0.7828000       2.094200    
 H  -0.8944000       1.253800      -2.511300    
 H   -1.403800      0.2795000       1.683600    
 H    4.327800      0.5684000      -1.959300    
 H    3.754800     -0.4161000       2.204000    
 H   -2.970600      0.5524000      -1.683300    
 H   -5.300700      0.7380000     -0.9346000    
 H   -4.867000     -0.9470000      -1.270000    
 H    5.647000      -1.478000      -2.258300    
 H    5.075000      -2.458000       1.901400    
 H   -5.710200      -1.618300      0.9954000    
 H   -6.147800      7.5900003E-02   1.328900    
 H    6.594500      -3.506700      -1.278900    
 H    6.362400      -3.904600      0.4104000    
 H   -9.187200      -1.437500      0.3546000    


%chk=000068350-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068350

0 1
S 3.109161 1.720319 0.432293
O 3.228929 2.060455 2.031937
O 3.529126 2.773916 -0.754126
O -3.574168 -0.401991 1.380246
O -8.615131 -0.772297 0.655654
O -7.505222 -1.826051 -1.089579
N -2.758075 0.438428 -0.655447
N 6.389315 -3.303831 -0.490060
C 1.293618 1.284439 0.114238
C 4.088665 0.146923 0.136424
C -1.397134 0.712572 -0.345320
C 0.772278 1.522265 -1.167520
C 0.514811 0.804578 1.177765
C -0.584885 1.228251 -1.394496
C -0.845320 0.507885 0.950083
C 4.601830 -0.096668 -1.149570
C 4.344384 -0.700843 1.228690
C -5.090589 -0.327443 -0.552882
C 5.370346 -1.255115 -1.359311
C 5.113486 -1.858223 1.016575
C -3.753709 -0.097245 0.164768
C 5.631315 -2.156957 -0.281555
C -6.262968 -0.328117 0.441902
C -7.473855 -1.052314 -0.105870
H 1.408259 1.950768 -1.948830
H 0.955208 0.689788 2.173745
H -1.017027 1.405241 -2.387366
H -1.482892 0.130483 1.750776
H 4.424137 0.622337 -1.956327
H 3.970733 -0.439684 2.224486
H -3.038550 0.647010 -1.617203
H -5.251540 0.422836 -1.350168
H -5.054392 -1.314253 -1.056402
H 5.781543 -1.463493 -2.353869
H 5.325950 -2.531877 1.854740
H -5.939189 -0.837029 1.371982
H -6.555498 0.691876 0.745347
H 6.776209 -3.515176 -1.405327
H 6.590670 -3.942394 0.274024
H -9.386129 -1.290869 0.297153


