%chk=000081756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081756

0 1
 S    1.221800     -0.9483000     -0.3551000    
 N   -1.418300      -1.104100      0.1360000    
 N  -0.6131000      0.9902000     -0.2586000    
 C   -2.617100     -0.3302000      0.2575000    
 C   -2.085900       1.088900     -7.3000002E-03
 C  -0.3706000     -0.2885000     -0.1491000    
 C    2.201400      0.4594000      0.2128000    
 C    3.681900      0.1327000      0.1638000    
 H   -3.050000     -0.4158000       1.258400    
 H   -3.362100     -0.6248000     -0.4873000    
 H   -2.574700       1.533000     -0.8809000    
 H   -2.264500       1.740700      0.8545000    
 H   -1.378400      -2.109400      0.2482000    
 H    2.008400       1.328000     -0.4252000    
 H    1.914700      0.7146000       1.238200    
 H    3.928300     -0.7156000      0.8116000    
 H    4.009500     -0.1002000     -0.8551000    
 H    4.265100      0.9926000      0.5099000    


%chk=000081756-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081756

0 1
S 1.266514 -1.070418 0.078713
N -1.497309 -1.160695 0.075450
N -0.625444 0.974595 0.147445
C -2.732500 -0.346014 0.115235
C -2.126535 1.113771 0.148110
C -0.385872 -0.317732 0.104944
C 2.306061 0.522118 0.159613
C 3.791850 0.147072 0.115599
H -3.336354 -0.568226 1.016094
H -3.361651 -0.518121 -0.778683
H -2.436186 1.703424 -0.733659
H -2.440867 1.666718 1.051451
H -1.471924 -2.176919 0.060451
H 1.994451 1.145012 -0.692499
H 2.021379 1.038371 1.089067
H 4.076124 -0.495982 0.967669
H 4.051137 -0.380532 -0.819558
H 4.403528 1.066758 0.166858


