%chk=000085296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085296

0 1
 S    1.309600     -0.8341000      0.6841000    
 N   -2.519600      7.3000002E-03 -0.3830000    
 N    3.568800     -0.6981000     -0.6666000    
 N    2.782400       1.339900      0.2314000    
 C   -1.401500     -0.6671000      0.2757000    
 C  -8.9000002E-02 -6.0000001E-03 -0.1266000    
 C   -2.543400       1.425200     -2.5500000E-02
 C   -3.785000     -0.6317000     -2.4200000E-02
 C    2.677800      6.4499997E-02  3.4699999E-02
 H   -1.384000      -1.720100     -3.4000002E-02
 H   -1.522400     -0.6465000       1.367400    
 H  -4.2300001E-02   1.038300      0.1891000    
 H   5.4000001E-02 -4.9300000E-02  -1.211900    
 H   -1.749900       1.987900     -0.5268000    
 H   -2.480000       1.588600       1.056600    
 H   -3.474400       1.889800     -0.3740000    
 H   -4.618500     -0.1663000     -0.5622000    
 H   -3.990500     -0.5696000       1.050700    
 H   -3.779200      -1.688500     -0.3139000    
 H    4.395400     -0.2887000      -1.088200    
 H    3.428700      -1.695300     -0.7871000    
 H    1.989600       1.659600      0.7971000    


%chk=000085296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085296

0 1
S 1.361664 -0.817189 0.678071
N -2.557922 0.252596 -0.165985
N 3.934747 -0.818259 -0.128752
N 2.772223 0.967838 -1.104028
C -1.403459 -0.516795 0.355234
C -0.080840 0.118114 -0.114553
C -2.863403 1.458205 0.631259
C -3.757682 -0.578406 -0.395417
C 2.783064 -0.077850 -0.330291
H -1.459604 -1.547401 -0.039401
H -1.416731 -0.593707 1.471331
H -0.013987 1.175981 0.191566
H 0.007660 0.040970 -1.210189
H -1.965531 2.092046 0.731611
H -3.233210 1.218902 1.660663
H -3.638121 2.055185 0.118064
H -4.540092 0.032638 -0.880575
H -4.191806 -1.007583 0.542924
H -3.510829 -1.413716 -1.074002
H 4.791321 -0.488168 -0.569361
H 3.915446 -1.719515 0.339888
H 1.893691 1.505912 -1.145257


