%chk=000039106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039106

0 1
 S    2.284200      -1.443200     -0.5823000    
 O    1.981100       2.152100      0.1982000    
 O   -5.034700      -1.062200      1.8000000E-03
 O   -3.208500     -0.6830000      -1.355300    
 N    4.269100      -3.119700      -1.018000    
 N    4.076300      -2.307500       1.191200    
 C   0.5962000      0.2777000      0.7594000    
 C   -1.804600      0.5484000      0.7778000    
 C   0.7440000       1.614700      0.3898000    
 C  -0.6782000     -0.2554000      0.9533000    
 C   -3.167500     -2.0300001E-02  0.9852000    
 C   -1.656900       1.885300      0.4084000    
 C    1.790900     -0.5972000      0.9496000    
 C  -0.3826000       2.418300      0.2143000    
 C    2.265000       2.680000      -1.096000    
 C   -3.772000     -0.6162000     -0.2712000    
 C    3.748900       2.551500      -1.366400    
 C    3.680100      -2.369000     -3.9900001E-02
 C   -5.730700      -1.654300      -1.099800    
 H  -0.7958000      -1.298500       1.238000    
 H   -3.131000     -0.8034000       1.752300    
 H   -3.841900      0.7627000       1.353300    
 H   -2.526400       2.522000      0.2683000    
 H    2.634600     -1.0700000E-02   1.331300    
 H    1.573400      -1.350800       1.716200    
 H  -0.2833000       3.463600     -6.5200001E-02
 H    1.709200       2.139200      -1.872100    
 H    1.972300       3.735300      -1.121900    
 H    4.004100       2.958600      -2.348800    
 H    4.327200       3.082200     -0.6029000    
 H    4.059400       1.502300      -1.327500    
 H   -5.857200     -0.9237000      -1.904500    
 H   -6.718600      -1.965500     -0.7500000    
 H   -5.191300      -2.536000      -1.458700    
 H    3.909800      -3.123500      -1.966500    
 H    5.082300      -3.694600     -0.8262000    
 H    4.897100      -2.912200       1.305100    


%chk=000039106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039106

0 1
S 3.031911 -1.331431 -0.410715
O 2.244472 2.175454 -0.444486
O -3.653141 -1.912448 -0.099379
O -4.319359 0.282668 -0.497505
N 2.615005 -3.955688 -0.778014
N 1.799446 -3.071551 1.337521
C 1.054435 0.429522 0.679482
C -1.413094 0.443978 0.831962
C 1.001152 1.655363 -0.046901
C -0.160707 -0.156828 1.103233
C -2.708583 -0.209617 1.319782
C -1.439437 1.662893 0.112620
C 2.373827 -0.216140 0.999856
C -0.243464 2.269174 -0.327836
C 2.255657 3.427026 -1.225405
C -3.643792 -0.539760 0.163903
C 3.716324 3.737313 -1.541994
C 2.376158 -2.965018 0.171017
C -4.492772 -2.336696 -1.246988
H -0.103674 -1.110387 1.641406
H -2.484311 -1.131727 1.878194
H -3.254373 0.482808 1.987790
H -2.401812 2.134637 -0.116852
H 3.179291 0.518300 1.142952
H 2.294441 -0.908995 1.853598
H -0.295621 3.210234 -0.883006
H 1.663526 3.286170 -2.152886
H 1.790417 4.239080 -0.629128
H 3.786611 4.667690 -2.134549
H 4.297671 3.868962 -0.613420
H 4.170233 2.916013 -2.122205
H -5.541798 -2.036070 -1.086238
H -4.391943 -3.430506 -1.279024
H -4.123542 -1.874826 -2.178083
H 3.027395 -3.729759 -1.681617
H 2.352654 -4.921153 -0.590221
H 1.464797 -4.021686 1.583437


