%chk=000076031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076031

0 1
 S   0.9799000       1.890100      1.9999999E-04
 O    3.221800      0.4935000      1.9999999E-04
 N    1.190600     -0.7001000     -3.0000001E-04
 C  -0.1997000     -0.4437000     -1.9999999E-04
 C  -0.4998000      0.9186000     -1.9999999E-04
 C   -1.218100      -1.389300      9.9999997E-05
 C    2.001100      0.4329000     -1.9999999E-04
 C   -1.810700       1.369600       0.000000    
 C    1.715700      -2.050200      9.9999997E-05
 C   -2.543200     -0.9459000      9.9999997E-05
 C   -2.837700      0.4245000       0.000000    
 H   -1.011400      -2.454400      1.9999999E-04
 H    2.809300      -2.034300       0.000000    
 H    1.372100      -2.573900     -0.8968000    
 H    1.372200      -2.573300      0.8975000    
 H   -2.044400       2.429300       0.000000    
 H   -3.353900      -1.669500      1.9999999E-04
 H   -3.873600      0.7522000      1.9999999E-04


%chk=000076031-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076031

0 1
S 0.993081 1.971416 -0.000421
O 3.291921 0.387449 -0.000529
N 1.182983 -0.700743 0.000412
C -0.202398 -0.435394 0.000321
C -0.513522 0.953745 0.000069
C -1.235881 -1.397610 0.000300
C 2.042360 0.410564 0.000968
C -1.846534 1.397146 -0.000128
C 1.740958 -2.061145 -0.000006
C -2.576531 -0.950526 0.000213
C -2.882777 0.431624 0.000016
H -1.005413 -2.467430 0.000434
H 2.838455 -1.976810 0.000110
H 1.419105 -2.613118 -0.901369
H 1.418970 -2.613675 0.900964
H -2.080625 2.466301 -0.000402
H -3.387182 -1.686920 0.000267
H -3.926770 0.761229 -0.000119


