%chk=000194198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194198

0 1
O -0.148753 -1.970313 -1.562410
N -3.534625 0.056195 -0.105115
C -4.852262 -0.651975 0.014868
C -3.650640 1.259517 -0.994797
C -5.904399 0.300537 0.608029
C -4.681831 2.241212 -0.413555
C -6.048930 1.566305 -0.245880
C -2.471413 -0.874388 -0.605421
C -1.124216 -0.479461 0.044921
C 0.035782 -1.096082 -0.738330
C -1.049544 -0.946429 1.499593
C 1.415277 -0.597727 -0.451960
C 4.055995 0.250126 0.028780
C 5.485086 0.692414 0.284264
C 1.661168 0.637514 0.165002
C 2.501410 -1.401311 -0.835186
C 2.969457 1.058134 0.402609
C 3.810552 -0.983825 -0.593031
C 5.731980 0.862597 1.788106
C 5.790662 1.983099 -0.485284
H -4.709933 -1.517047 0.698556
H -5.212854 -1.056149 -0.955326
H -3.927429 0.995894 -2.038687
H -2.653855 1.748457 -1.037488
H -5.605316 0.579931 1.638220
H -6.873446 -0.222933 0.693089
H -4.763890 3.126711 -1.068739
H -4.325602 2.607766 0.569945
H -6.764190 2.264859 0.225588
H -6.472788 1.312316 -1.235662
H -2.369072 -0.874619 -1.713346
H -2.710688 -1.925300 -0.334321
H -1.029624 0.636662 0.019407
H -1.098071 -2.038153 1.582768
H -0.130925 -0.612198 1.993047
H -1.903224 -0.539496 2.063092
H 6.183546 -0.102119 -0.089297
H 0.828429 1.278998 0.458821
H 2.307098 -2.357443 -1.330424
H 3.150035 2.019354 0.880496
H 4.641118 -1.620565 -0.893141
H 6.781334 1.103551 1.990638
H 5.489929 -0.055306 2.336516
H 5.124156 1.667774 2.215364
H 5.589586 1.863501 -1.556451
H 6.842495 2.268702 -0.374703
H 5.185025 2.824912 -0.131967


%chk=000194198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194198

0 1
O -0.150488 -2.382408 -0.920521
N -3.609660 -0.003925 -0.134647
C -4.911094 -0.675629 -0.387336
C -3.594744 1.363279 -0.715887
C -6.078809 0.128698 0.219848
C -4.718095 2.236421 -0.119913
C -6.097041 1.572344 -0.333545
C -2.454162 -0.825180 -0.571937
C -1.153683 -0.464985 0.192959
C 0.038037 -1.256982 -0.362514
C -1.305685 -0.766199 1.712312
C 1.432467 -0.715280 -0.208430
C 4.136566 0.218089 0.018142
C 5.578746 0.717247 0.123182
C 1.722548 0.540657 0.393070
C 2.517123 -1.497621 -0.689162
C 3.050950 0.995953 0.502347
C 3.842085 -1.037036 -0.577725
C 6.000596 0.950904 1.598719
C 5.794105 2.001901 -0.722721
H -4.871984 -1.685742 0.060773
H -5.092452 -0.805955 -1.487922
H -3.714541 1.320258 -1.832296
H -2.612960 1.829894 -0.514237
H -5.955436 0.156405 1.320093
H -7.033806 -0.386958 0.000820
H -4.691080 3.240110 -0.586768
H -4.532661 2.363948 0.964335
H -6.894554 2.165456 0.152871
H -6.327805 1.546851 -1.418947
H -2.271916 -0.736113 -1.671646
H -2.681051 -1.889156 -0.381292
H -0.956646 0.617789 0.076455
H -1.404652 -1.854659 1.878837
H -0.440380 -0.405616 2.296425
H -2.224130 -0.272224 2.073751
H 6.236272 -0.072443 -0.292911
H 0.913324 1.169908 0.778125
H 2.286336 -2.464855 -1.148321
H 3.245724 1.969080 0.968568
H 4.665588 -1.654440 -0.957386
H 7.059710 1.263890 1.651447
H 5.879432 0.032368 2.200319
H 5.391018 1.745789 2.067166
H 5.530207 1.833159 -1.782085
H 6.851093 2.323291 -0.674541
H 5.170188 2.833918 -0.346677


