%chk=000216286.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216286

0 1
O -4.680380 -2.105574 -1.150529
N 1.539838 0.661677 0.087778
C -0.484547 2.096250 0.330793
C -1.182140 1.278520 -0.814248
C 0.494900 1.115961 1.058737
C -0.097119 0.742671 -1.786867
C -0.293779 -0.023139 1.747818
C -1.904126 0.059682 -0.236233
C 0.969835 -0.097222 -1.070247
C -1.519798 2.641842 1.332896
C 0.312618 3.293113 -0.217792
C -1.454103 -0.557212 0.955588
C -2.158921 2.175772 -1.593503
C 2.631090 -0.119937 0.761007
C -2.988610 -0.496226 -0.921352
C -2.106283 -1.697858 1.444781
C -3.618738 -1.637594 -0.405281
C -3.198288 -2.256402 0.776293
C 3.841740 -0.164163 -0.127140
C 4.717522 -1.178480 -0.176808
C 5.919607 -1.125566 -1.071583
C 4.596208 -2.426030 0.643260
H 1.037297 1.691561 1.854218
H 0.385300 1.597528 -2.299503
H -0.569765 0.133604 -2.579490
H -0.671159 0.348374 2.724271
H 0.397820 -0.852919 1.998653
H 0.542229 -1.078980 -0.769446
H 1.805132 -0.313799 -1.772913
H -2.098492 3.461484 0.893159
H -2.238855 1.878087 1.648046
H -1.037309 3.034871 2.232676
H 1.161908 2.960678 -0.831835
H -0.311656 3.947353 -0.834072
H 0.731003 3.895706 0.594077
H -1.679535 3.114750 -1.896474
H -2.523898 1.689409 -2.504653
H -3.033832 2.434034 -0.986119
H 2.909051 0.405783 1.704808
H 2.307917 -1.146877 1.052282
H -3.360867 -0.069571 -1.851332
H -1.758874 -2.165559 2.366040
H -3.694973 -3.137438 1.163721
H 3.972644 0.729710 -0.740498
H -5.087890 -2.907776 -0.746864
H 6.841259 -1.341358 -0.515356
H 6.050943 -0.145201 -1.547135
H 5.840976 -1.867661 -1.877758
H 5.201307 -2.349806 1.557074
H 4.941711 -3.312149 0.095959
H 3.559283 -2.620821 0.952196


%chk=000216286-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216286

0 1
O -4.780902 -2.156117 -1.153563
N 1.522865 0.607160 0.173575
C -0.484044 2.103427 0.314724
C -1.175560 1.249966 -0.832353
C 0.466263 1.129214 1.088343
C -0.054148 0.649174 -1.752140
C -0.356733 0.033143 1.825001
C -1.943644 0.054640 -0.211176
C 0.995205 -0.167568 -0.975400
C -1.539470 2.697843 1.287337
C 0.368575 3.283800 -0.222988
C -1.506705 -0.546100 1.009001
C -2.105625 2.127148 -1.709772
C 2.642328 -0.073747 0.870189
C -3.041164 -0.522872 -0.895109
C -2.183459 -1.688807 1.498436
C -3.699927 -1.663299 -0.392285
C -3.275720 -2.261622 0.816063
C 3.898538 -0.100999 0.021306
C 4.743530 -1.148642 -0.201804
C 5.992911 -0.968796 -1.050665
C 4.558273 -2.549218 0.358121
H 0.999202 1.724493 1.858416
H 0.445468 1.476004 -2.291213
H -0.526789 -0.000955 -2.513797
H -0.765355 0.470516 2.759085
H 0.320387 -0.781140 2.152499
H 0.553152 -1.142418 -0.650304
H 1.845739 -0.411182 -1.639329
H -2.091313 3.522932 0.802036
H -2.279598 1.950704 1.621443
H -1.040967 3.117679 2.182438
H 1.217975 2.931132 -0.828272
H -0.233306 3.998513 -0.811732
H 0.789832 3.842928 0.635165
H -1.568554 3.019328 -2.074085
H -2.446674 1.577121 -2.605194
H -3.000567 2.460763 -1.155746
H 2.847454 0.507560 1.794037
H 2.373026 -1.106836 1.201791
H -3.413452 -0.103034 -1.833030
H -1.844697 -2.142594 2.438435
H -3.781522 -3.150488 1.215154
H 4.133769 0.870053 -0.439761
H -5.180746 -2.949369 -0.718653
H 6.906648 -1.201192 -0.467239
H 6.084597 0.062864 -1.432189
H 5.988282 -1.659549 -1.917504
H 5.350959 -2.783918 1.096857
H 4.646039 -3.303547 -0.448509
H 3.584826 -2.690993 0.855462


