%chk=000191132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191132

1 1
S 0.567740 1.045384 -2.249844
O 0.551885 1.226628 0.359959
N -3.010692 1.646101 -0.451020
C -2.055933 1.048272 -1.501116
C -4.183065 0.674942 -0.217146
C -3.582375 2.992413 -0.928003
C -2.219211 1.858988 0.853039
C -0.942315 1.999346 -1.914992
C -3.754435 -0.731058 0.105922
C -4.264527 2.920961 -2.281845
C -3.024772 2.494932 1.966748
C -3.661048 -1.685094 -0.920159
C -3.507825 -1.109062 1.433921
C -3.304102 -3.001602 -0.618384
C -3.150195 -2.427857 1.729358
C -3.044750 -3.374144 0.705219
C 1.219306 0.825967 -0.562221
C 2.502394 0.161011 -0.576988
C 3.196931 -0.043051 0.565604
C 4.501172 -0.694970 0.651232
C 5.174181 -1.177475 -0.487314
C 5.104594 -0.841413 1.918254
C 6.420985 -1.793047 -0.361441
C 6.350034 -1.457144 2.037924
C 7.010447 -1.933935 0.898976
H -2.650332 0.732385 -2.389838
H -1.636456 0.100670 -1.068142
H -4.835256 0.680320 -1.126063
H -4.817390 1.082728 0.608614
H -4.305088 3.359331 -0.159256
H -2.754848 3.740609 -0.954527
H -1.804300 0.869685 1.176113
H -1.308364 2.474069 0.623619
H -1.186347 2.557345 -2.842904
H -0.712539 2.762785 -1.137829
H -3.574286 2.712612 -3.110672
H -5.074653 2.178952 -2.326229
H -4.733821 3.892988 -2.521091
H -3.275115 3.548268 1.783024
H -3.955474 1.961110 2.201578
H -2.431633 2.492461 2.900958
H -3.879763 -1.415757 -1.952614
H -3.605305 -0.388514 2.245487
H -3.234499 -3.743770 -1.416627
H -2.960508 -2.721278 2.764002
H -2.768723 -4.404946 0.938760
H 2.897049 -0.161204 -1.547322
H 2.774191 0.299432 1.524484
H 4.723693 -1.070396 -1.475103
H 4.599389 -0.471760 2.811287
H 6.937150 -2.163616 -1.248236
H 6.812358 -1.566897 3.020007
H 7.985843 -2.414605 0.995437


%chk=000191132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191132

1 1
S 0.673237 1.353904 -2.336955
O 0.728845 1.201388 0.418106
N -3.088256 1.673707 -0.438057
C -1.922941 1.159217 -1.325387
C -4.219900 0.579492 -0.405865
C -3.683706 2.985229 -1.000416
C -2.525797 1.913161 0.992075
C -0.869172 2.218385 -1.690956
C -3.806174 -0.777070 0.124305
C -4.176286 2.922140 -2.453063
C -3.480983 2.602655 1.972744
C -3.337028 -1.782692 -0.762693
C -3.958912 -1.095160 1.500565
C -2.999123 -3.065588 -0.281232
C -3.623423 -2.378431 1.983311
C -3.137068 -3.364552 1.094077
C 1.379165 0.909444 -0.622192
C 2.671289 0.248041 -0.722031
C 3.359834 -0.138493 0.408336
C 4.662296 -0.794763 0.470201
C 5.427829 -1.122179 -0.690675
C 5.195001 -1.121078 1.754053
C 6.677882 -1.753141 -0.565477
C 6.447238 -1.753985 1.877196
C 7.192373 -2.071956 0.717382
H -2.373446 0.735474 -2.237734
H -1.457285 0.342267 -0.754069
H -4.567005 0.501304 -1.448009
H -5.028163 1.022241 0.199207
H -4.516470 3.259257 -0.332572
H -2.895978 3.749262 -0.887069
H -2.228146 0.917877 1.357920
H -1.601265 2.498190 0.870997
H -1.191012 2.897275 -2.495422
H -0.535230 2.800007 -0.817567
H -3.395008 2.612218 -3.166413
H -5.055369 2.270345 -2.584122
H -4.490921 3.940341 -2.742937
H -3.679932 3.656513 1.718204
H -4.445077 2.079009 2.092345
H -2.991566 2.601441 2.962897
H -3.254073 -1.573857 -1.836520
H -4.363027 -0.349203 2.196093
H -2.643640 -3.832865 -0.976291
H -3.752844 -2.613085 3.044668
H -2.883148 -4.362102 1.466857
H 3.070664 0.085239 -1.728798
H 2.876297 0.073729 1.373503
H 5.047610 -0.880245 -1.688972
H 4.617702 -0.871826 2.652739
H 7.258531 -1.998414 -1.460679
H 6.843769 -1.997533 2.867956
H 8.167210 -2.562430 0.809036


