%chk=000097986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097986

0 1
 S   0.4327000      0.9732000       1.582300    
 N   6.3199997E-02 -0.4194000     -0.7347000    
 C    1.126300      8.7099999E-02  0.1532000    
 C   -1.228500      0.9187000      0.8781000    
 C    1.943500      -1.107900      0.6457000    
 C    2.001000       1.045500     -0.6547000    
 C   -1.094500      9.9999997E-05 -0.3250000    
 C   -2.335400     -0.4062000      -1.069700    
 C   -1.676600       2.310900      0.4661000    
 C    1.087800      -2.067000       1.449100    
 C    2.597100      0.3588000      -1.867600    
 C   -2.916500      -1.693800     -0.5228000    
 H   -1.922500      0.4801000       1.600800    
 H    2.801900     -0.7842000       1.247700    
 H    2.345900      -1.682000     -0.1967000    
 H    2.815800       1.451700     -4.1900001E-02
 H    1.407200       1.898900      -1.008500    
 H   -3.083400      0.3891000      -1.017300    
 H   -2.079800     -0.5406000      -2.127000    
 H   -1.062100       2.716600     -0.3460000    
 H   -2.710700       2.297800      0.1063000    
 H   -1.641200       3.008700       1.310100    
 H   0.7595000      -1.653700       2.406600    
 H   0.2095000      -2.414000      0.8964000    
 H    1.679300      -2.958300       1.689700    
 H    3.350100     -0.3859000      -1.594700    
 H    1.843100     -0.1167000      -2.501800    
 H    3.110800       1.103000      -2.487000    
 H   -3.808900      -1.981800      -1.086800    
 H   -3.196500      -1.582300      0.5298000    
 H   -2.190700      -2.511200     -0.5875000    


%chk=000097986-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097986

0 1
S 0.485579 1.105735 1.562716
N 0.155366 -0.386094 -0.758018
C 1.277272 0.066170 0.056892
C -1.255113 0.795425 0.886662
C 2.059705 -1.143005 0.632294
C 2.176283 1.043524 -0.747472
C -1.046730 -0.059724 -0.379598
C -2.254339 -0.507489 -1.184992
C -2.011556 2.112776 0.603902
C 1.204348 -2.160252 1.409936
C 2.865774 0.414433 -1.980535
C -3.292221 -1.302701 -0.351592
H -1.807849 0.204243 1.640819
H 2.863140 -0.742447 1.279932
H 2.551250 -1.656033 -0.217333
H 2.935452 1.455524 -0.054853
H 1.544647 1.893269 -1.066201
H -2.749244 0.382496 -1.623153
H -1.885390 -1.120530 -2.024717
H -1.478964 2.712428 -0.154297
H -3.038611 1.911247 0.243164
H -2.089130 2.716432 1.524224
H 0.690754 -1.670348 2.256471
H 0.441827 -2.616692 0.753782
H 1.838834 -2.971617 1.810732
H 3.624285 -0.335982 -1.694181
H 2.121852 -0.078238 -2.630208
H 3.379062 1.197421 -2.568153
H -4.121008 -1.641186 -0.998341
H -3.726871 -0.687875 0.457210
H -2.831004 -2.195707 0.107111


