%chk=000151997.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151997

0 1
 S   0.9248000      -2.044500      1.9999999E-04
 O   -4.662900      0.9363000      1.4000000E-03
 O   -4.387300      -1.241600       0.000000    
 N   -3.922200     -7.6399997E-02  3.9999999E-04
 C   0.2866000      0.4524000     -1.9999999E-04
 C    1.737100      0.4013000      9.9999997E-05
 C  -0.2796000     -0.8233000     -1.9999999E-04
 C    2.212200     -0.9111000      9.9999997E-05
 C  -0.5943000       1.565600     -5.0000002E-04
 C   -1.676100      -1.014500     -5.0000002E-04
 C    2.694200       1.449700      3.0000001E-04
 C   -2.513100      0.1020000     -7.9999998E-04
 C    3.591900      -1.200100      1.9999999E-04
 C   -1.979300       1.381200     -7.9999998E-04
 C    4.062800       1.168400      1.9999999E-04
 C    4.505200     -0.1452000      9.9999997E-05
 H  -0.1955000       2.577300     -5.0000002E-04
 H   -2.070500      -2.027500     -3.0000001E-04
 H    2.368300       2.487200      5.0000002E-04
 H    3.947100      -2.226800      3.0000001E-04
 H   -2.606400       2.269300     -7.9999998E-04
 H    4.780700       1.983700      3.0000001E-04
 H    5.570800     -0.3574000      9.9999997E-05


%chk=000151997-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151997

0 1
S 0.933834 -2.197741 0.000131
O -4.695415 1.015264 -0.000475
O -4.449936 -1.253003 -0.000637
N -3.968240 -0.053277 0.000000
C 0.291572 0.437769 0.000022
C 1.750021 0.390271 0.000032
C -0.303317 -0.865032 0.000071
C 2.257842 -0.946191 0.000091
C -0.557194 1.575600 -0.000023
C -1.693554 -1.052426 0.000055
C 2.670750 1.470530 -0.000006
C -2.496369 0.108525 0.000016
C 3.639253 -1.219811 0.000110
C -1.951557 1.418427 -0.000030
C 4.053209 1.208593 0.000019
C 4.535035 -0.128499 0.000075
H -0.124144 2.580868 -0.000058
H -2.167365 -2.037003 0.000071
H 2.306112 2.503525 -0.000051
H 4.014628 -2.247677 0.000149
H -2.629814 2.274723 -0.000047
H 4.765437 2.040027 -0.000006
H 5.613710 -0.317463 0.000093


