%chk=000290469.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290469

0 1
S 5.775975 -0.282087 -0.326615
S -5.082227 0.987498 -0.766983
O -1.035446 -0.966883 -0.663304
N -0.037492 1.012489 0.066904
N -2.377170 0.898911 -0.268661
N -3.837996 -0.860775 0.599730
C 1.341795 0.634575 -0.022247
C 2.288136 1.572593 0.445467
C 1.756611 -0.596773 -0.557864
C 4.055239 0.043371 -0.166236
C 3.647249 1.266699 0.371585
C 3.120313 -0.884665 -0.630927
C -1.122585 0.181117 -0.306293
C -3.595938 0.253029 -0.067132
C -6.024615 -0.308846 -0.084600
C -5.212807 -1.184179 0.572982
C 6.091650 -1.427226 1.039179
H 1.974228 2.525710 0.862510
H 1.024180 -1.330274 -0.912559
H -0.223078 1.918934 0.500967
H 4.384463 1.987026 0.733252
H 3.446348 -1.837313 -1.055044
H -2.401437 1.911417 -0.398509
H -7.093050 -0.347236 -0.205140
H -5.510456 -2.095792 1.087695
H 5.512804 -2.351073 0.938394
H 5.864120 -0.974742 2.009882
H 7.158988 -1.683004 1.017168


%chk=000290469-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290469

0 1
S 5.909873 -0.226395 -0.447916
S -5.027364 0.992751 -1.007695
O -1.131963 -1.074904 -0.505330
N -0.056104 0.912973 0.190564
N -2.377361 0.882150 -0.026616
N -3.982589 -0.765473 0.733706
C 1.319919 0.583680 0.031655
C 2.272025 1.559825 0.431826
C 1.767016 -0.652767 -0.507175
C 4.101752 0.077592 -0.235173
C 3.652073 1.305481 0.304778
C 3.151101 -0.886425 -0.644494
C -1.165843 0.123887 -0.140288
C -3.641685 0.294462 0.029361
C -6.055692 -0.306442 -0.314319
C -5.322317 -1.117582 0.534154
C 6.203870 -1.415279 0.997811
H 1.935709 2.519980 0.844803
H 1.038017 -1.407319 -0.807266
H -0.240948 1.799767 0.664901
H 4.381567 2.058083 0.620165
H 3.494627 -1.829716 -1.082751
H -2.332272 1.896633 -0.138669
H -7.111676 -0.363570 -0.568000
H -5.720693 -1.979884 1.069355
H 5.566269 -2.305604 0.887918
H 5.995181 -0.907800 1.951741
H 7.265311 -1.705602 0.946557


