%chk=000100118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100118

0 1
 S   -2.738900      -1.379400       1.175400    
 O   0.5690000      -2.999700       1.016400    
 O    5.401600       2.583200     -0.5049000    
 O    5.910500       1.270900       1.179600    
 N   0.4936000      -1.377400     -0.6777000    
 N  -0.9930000      -4.379200     -0.9799000    
 N    5.151000       1.603100      0.2376000    
 C   -1.280000      -3.013700     -0.5315000    
 C   -2.409200      -3.040200      0.5035000    
 C   4.0199999E-02  -2.484000      3.5200000E-02
 C   -3.266700     -0.5827000     -0.3576000    
 C   -3.628600      0.8623000     -0.1506000    
 C    1.670300     -0.6255000     -0.4472000    
 C    1.953200      0.4564000      -1.263800    
 C    2.512900     -0.9874000      0.5907000    
 C   -2.650700       1.839300     -0.2839000    
 C   -4.936300       1.201800      0.1708000    
 C    3.971900      0.8471000      4.9999999E-03
 C    3.112400       1.198100      -1.036300    
 C    3.672200     -0.2457000      0.8184000    
 C   -2.986400       3.179600     -9.2200004E-02
 C   -5.271900       2.542000      0.3624000    
 C   -4.296900       3.530900      0.2308000    
 H   -1.576200      -2.461600      -1.426200    
 H   -2.141600      -3.677400       1.354200    
 H   -3.333300      -3.442300      7.3600002E-02
 H   -2.475100     -0.6197000      -1.110400    
 H   -4.124800      -1.124000     -0.7726000    
 H  -6.9799997E-02  -1.054400      -1.460800    
 H  -0.7656000      -4.966400     -0.1776000    
 H   -1.834000      -4.785200      -1.389400    
 H    1.289500      0.7386000      -2.076400    
 H    2.353100      -1.818900       1.260500    
 H   -1.626100       1.577400     -0.5339000    
 H   -5.703600      0.4399000      0.2766000    
 H    3.313400       2.043300      -1.689700    
 H    4.319500     -0.5474000       1.638100    
 H   -2.227200       3.949500     -0.1940000    
 H   -6.292200       2.815800      0.6143000    
 H   -4.558300       4.574400      0.3802000    


%chk=000100118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100118

0 1
S -2.358871 -0.910412 1.139061
O 1.166999 -3.574436 -0.676655
O 5.352748 2.731874 0.700160
O 6.541093 0.866488 0.134259
N 0.527666 -1.381390 -0.121589
N -1.338295 -4.503139 -0.791770
N 5.427802 1.483653 0.364948
C -1.240686 -3.075328 -0.521207
C -2.029422 -2.756989 0.791499
C 0.271292 -2.709429 -0.440983
C -3.791004 -0.598338 -0.109719
C -4.009262 0.885114 -0.279046
C 1.775674 -0.727043 -0.007077
C 1.750690 0.649561 0.365931
C 3.023229 -1.370421 -0.253578
C -3.301335 1.610380 -1.272972
C -4.915283 1.581138 0.562144
C 4.170655 0.722838 0.238388
C 2.942138 1.376968 0.489961
C 4.217602 -0.640297 -0.129801
C -3.497372 3.000350 -1.425921
C -5.111793 2.972065 0.411987
C -4.403232 3.685484 -0.582394
H -1.672800 -2.451323 -1.339359
H -1.493646 -3.143940 1.673977
H -3.009258 -3.258953 0.738706
H -3.502005 -1.080895 -1.057975
H -4.675917 -1.105542 0.307407
H -0.312749 -0.821764 0.122561
H -0.432691 -4.963029 -0.928376
H -2.095907 -4.813130 -1.397504
H 0.790303 1.141071 0.560273
H 3.034882 -2.424817 -0.532599
H -2.598781 1.083433 -1.930815
H -5.464700 1.031739 1.336147
H 2.944006 2.431611 0.776080
H 5.187539 -1.110152 -0.312968
H -2.948973 3.547561 -2.200592
H -5.815941 3.497068 1.066692
H -4.556494 4.763772 -0.700581


