%chk=000116790.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116790

0 1
 S  -0.8793000      -1.409500      1.9999999E-04
 O  -0.8764000      -2.130500      -1.259700    
 O  -0.8763000      -2.128900       1.261100    
 N  -0.6992000       1.584700     -9.9999997E-05
 N   -2.117900     -0.3527000     -3.9999999E-04
 N    1.674300       1.673600      3.0000001E-04
 C   0.6005000     -0.4555000     -3.0000001E-04
 C   0.5388000      0.9322000     -9.9999997E-05
 C   -1.907200      0.9271000     -7.9999998E-04
 C    1.826400      -1.114000     -5.0000002E-04
 C   -3.132600       1.813500      9.9999997E-05
 C    2.988600     -0.3588000     -3.0000001E-04
 C    2.860300       1.018900      3.0000001E-04
 H  -0.6608000       2.598300      1.9999999E-04
 H    1.885200      -2.198000     -7.9999998E-04
 H   -3.126200       2.439900      0.8968000    
 H   -4.047800       1.215000     -1.0400000E-02
 H   -3.116400       2.456300     -0.8847000    
 H    3.964000     -0.8311000     -3.9999999E-04
 H    3.737300       1.658000      6.0000003E-04


%chk=000116790-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116790

0 1
S -0.898829 -1.618808 -0.000600
O -0.952508 -2.435927 -1.400447
O -0.953962 -2.434271 1.400172
N -0.704072 1.534282 0.000462
N -2.315739 -0.322591 -0.002009
N 1.625160 1.687119 0.001281
C 0.651968 -0.537919 -0.000441
C 0.531594 0.869488 0.000369
C -1.976261 0.961535 -0.001121
C 1.922411 -1.136327 -0.000825
C -3.126777 1.952033 0.000225
C 3.057755 -0.294672 -0.000063
C 2.855554 1.107076 0.001234
H -0.622484 2.555500 0.001510
H 2.021235 -2.226219 -0.001676
H -3.089873 2.591956 0.901003
H -4.077038 1.400277 -0.003185
H -3.086728 2.598044 -0.896032
H 4.068736 -0.709786 -0.000395
H 3.705157 1.797709 0.001639


