%chk=000116793.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116793

0 1
S -2.072373 -1.225427 0.014197
O -1.908816 -2.660893 -0.131704
O -2.966484 -0.748303 1.068040
O -3.445540 1.728184 0.519797
O 5.593943 1.272843 0.393815
N -2.659774 -0.659395 -1.509388
C -0.529643 -0.479229 0.169545
C -2.890351 0.795493 -1.658666
C 1.891890 -0.567874 -0.057386
C 0.605780 -1.165274 -0.196955
C 1.990590 0.753928 0.472046
C -0.432185 0.838963 0.703296
C 0.791011 1.440259 0.848866
C -3.722969 -1.509810 -2.100754
C -3.983552 1.414450 -0.764565
C 3.082923 -1.268281 -0.433553
C 3.270594 1.356324 0.613270
C 4.389133 0.640528 0.234958
C 4.315971 -0.685928 -0.295617
H -3.130295 1.002790 -2.727608
H -1.923822 1.320847 -1.465805
H 0.539074 -2.186390 -0.595984
H -1.353859 1.369240 0.993964
H 0.872007 2.447685 1.256998
H -4.708885 -1.394962 -1.622397
H -3.423581 -2.575528 -2.031254
H -3.830962 -1.278106 -3.174025
H -4.866983 0.762846 -0.661028
H -4.298098 2.399152 -1.161990
H 2.989530 -2.280486 -0.833707
H 3.368379 2.363092 1.014655
H 5.225781 -1.207649 -0.576990
H -3.558456 0.942664 1.145438
H 6.357321 0.709747 0.111692


%chk=000116793-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116793

0 1
S -2.118056 -1.278033 0.074665
O -1.889952 -2.873001 -0.134936
O -3.067497 -0.797330 1.340418
O -3.718951 1.714078 0.504373
O 5.741891 1.281007 0.416160
N -2.728557 -0.664227 -1.623281
C -0.447331 -0.433271 0.220844
C -2.941959 0.811224 -1.708578
C 1.952732 -0.564668 -0.065132
C 0.657528 -1.154711 -0.209453
C 2.071324 0.760107 0.520555
C -0.379597 0.861199 0.808323
C 0.880997 1.443285 0.948691
C -3.859090 -1.518587 -2.075190
C -4.081026 1.472509 -0.886959
C 3.141291 -1.248300 -0.481912
C 3.364519 1.347251 0.665480
C 4.501723 0.650744 0.246770
C 4.394426 -0.657552 -0.332158
H -3.122529 0.986724 -2.789363
H -1.989633 1.310838 -1.454158
H 0.537050 -2.159780 -0.628865
H -1.290062 1.376893 1.131293
H 0.970614 2.439687 1.394777
H -4.838213 -1.277924 -1.614173
H -3.605956 -2.571710 -1.868149
H -3.936887 -1.390057 -3.170431
H -5.019730 0.883241 -0.968676
H -4.269831 2.471964 -1.316727
H 3.055197 -2.248123 -0.921241
H 3.479690 2.342182 1.106042
H 5.299170 -1.189078 -0.654014
H -3.650050 0.830572 0.986052
H 6.484051 0.708346 0.100153


