%chk=000147433.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147433

0 1
 S  -4.4999998E-03   2.394800      6.9999998E-04
 O    4.207000      0.1550000     -5.0000002E-04
 O    2.525000      -1.410100      6.9999998E-04
 N   -1.609300       2.033800     -6.0000003E-04
 N   0.1149000     -0.3279000      3.9999999E-04
 N    2.085200      0.8721000      8.9999998E-04
 C   -2.121500      0.7279000     -5.0000002E-04
 C   -1.287700     -0.4032000      3.0000001E-04
 C   -3.516100      0.5457000     -1.1000000E-03
 C   -1.864200      -1.683000      6.0000003E-04
 C   0.7177000      0.8130000      6.0000003E-04
 C   -4.075800     -0.7314000     -6.9999998E-04
 C   -3.248400      -1.847500      1.9999999E-04
 C    2.899500     -0.2417000      8.9999998E-04
 C    5.178100     -0.8975000     -2.2000000E-03
 H   -4.180000       1.407900     -1.7000000E-03
 H   -1.228600      -2.566100      1.2000001E-03
 H   -2.294000       2.783300     -5.0000002E-04
 H   -5.154900     -0.8524000     -1.1000000E-03
 H   -3.677800      -2.844900      5.0000002E-04
 H    2.526900       1.786800      6.9999998E-04
 H    6.172200     -0.4424000     -3.1000001E-03
 H    5.071000      -1.509600     -0.9027000    
 H    5.073100      -1.510600      0.8980000    


%chk=000147433-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147433

0 1
S 0.073660 2.500351 0.005494
O 4.305575 0.181466 -0.001050
O 2.741185 -1.582086 0.000258
N -1.694003 2.036760 -0.001676
N 0.013242 -0.359785 0.000367
N 2.127716 0.731725 0.001128
C -2.227369 0.749630 -0.000577
C -1.404517 -0.424088 0.000654
C -3.641093 0.584498 -0.001421
C -1.997198 -1.705372 0.001267
C 0.727928 0.696941 0.001599
C -4.214562 -0.704608 -0.000924
C -3.399722 -1.860429 0.000570
C 3.003217 -0.367648 0.000581
C 5.393636 -0.820652 -0.002650
H -4.286722 1.471434 -0.002477
H -1.323827 -2.568165 0.002096
H -2.308758 2.847794 -0.003396
H -5.306194 -0.800180 -0.001618
H -3.846667 -2.858731 0.001022
H 2.594152 1.642615 0.000858
H 6.319412 -0.228819 -0.003741
H 5.328193 -1.455162 -0.902229
H 5.330515 -1.455490 0.896865


