%chk=000222053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222053

0 1
O -0.665569 -1.020950 0.725095
O -0.129473 -0.571178 -1.428966
N -4.348210 -0.601479 0.361742
C -2.947632 -0.093352 0.585470
C -4.649428 -1.013760 -1.050740
C -5.438911 0.357824 0.738774
C -5.519367 0.078271 -1.707927
C -6.073019 0.925849 -0.550534
C -2.040435 -1.340665 0.358182
C 1.905146 1.136228 0.187159
C -2.538018 1.050161 -0.355144
C -2.799458 0.348093 2.052695
C 1.557656 -0.369911 0.368554
C 0.822681 2.015237 0.848283
C 1.257318 3.484713 0.852390
C 0.205391 -0.646599 -0.269833
C 3.270584 1.447460 0.744652
C 2.556290 3.668929 1.652360
C 2.598919 -1.278805 -0.244386
C 3.560339 2.589333 1.375628
C 3.422703 -2.046339 0.592777
C 2.759932 -1.353319 -1.636231
C 4.401949 -2.876169 0.039508
C 3.739858 -2.184623 -2.183230
C 4.563895 -2.945758 -1.347568
H -3.734814 -1.217448 -1.638410
H -5.211526 -1.970320 -0.979710
H -6.184206 -0.234077 1.313118
H -5.084504 1.165000 1.405479
H -6.328917 -0.366519 -2.308349
H -4.921455 0.696292 -2.398745
H -5.820671 1.990413 -0.683361
H -7.172870 0.870962 -0.503854
H -2.068140 -1.703881 -0.683876
H -2.284439 -2.158840 1.059266
H 1.932268 1.360001 -0.912831
H -3.288397 1.845466 -0.372142
H -1.579270 1.500593 -0.047173
H -2.398389 0.703099 -1.386945
H -1.737500 0.423012 2.321263
H -3.257854 -0.378251 2.735464
H -3.262757 1.321063 2.240495
H 1.478877 -0.579056 1.471085
H 0.640284 1.676351 1.886495
H -0.149728 1.903856 0.315172
H 1.407000 3.835024 -0.187604
H 0.456711 4.117356 1.277518
H 4.031515 0.686631 0.568845
H 2.332375 3.674489 2.740316
H 2.995634 4.661739 1.429172
H 4.565437 2.794623 1.743510
H 3.303031 -1.999000 1.673799
H 2.104298 -0.772783 -2.290673
H 5.038914 -3.470780 0.692224
H 3.859471 -2.240621 -3.264242
H 5.326881 -3.592386 -1.776015


%chk=000222053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222053

0 1
O -0.667124 -0.878726 0.624443
O -0.067477 -0.056779 -1.480457
N -4.381385 -0.880427 -0.014336
C -3.134506 -0.333331 0.629077
C -4.567283 -0.629517 -1.475340
C -5.712279 -0.546494 0.565792
C -5.549753 0.585718 -1.619636
C -6.268541 0.677262 -0.235239
C -2.013977 -1.286604 0.116786
C 2.133644 1.344996 -0.001958
C -2.805687 1.146968 0.272404
C -3.215031 -0.479808 2.168130
C 1.590811 -0.083061 0.362611
C 1.149732 2.455539 0.449469
C 1.794018 3.855398 0.334217
C 0.224063 -0.309923 -0.286943
C 3.513941 1.568176 0.598379
C 3.033509 3.973284 1.253180
C 2.537169 -1.211203 -0.074969
C 3.909506 2.736322 1.170237
C 3.176000 -2.021210 0.896075
C 2.806623 -1.446059 -1.448514
C 4.073397 -3.042044 0.507769
C 3.702179 -2.465796 -1.837691
C 4.341167 -3.266576 -0.861924
H -3.606657 -0.458014 -1.987647
H -5.027806 -1.529879 -1.927846
H -6.381386 -1.416719 0.408159
H -5.653824 -0.370571 1.650038
H -6.264453 0.422091 -2.445831
H -4.996913 1.516187 -1.836959
H -6.019371 1.625000 0.275044
H -7.368330 0.631596 -0.329511
H -1.972585 -1.312547 -0.984501
H -2.179168 -2.297642 0.520486
H 2.209731 1.375348 -1.110524
H -3.637676 1.806529 0.576816
H -1.899064 1.479396 0.809268
H -2.622811 1.278283 -0.808365
H -2.201779 -0.378645 2.594121
H -3.613476 -1.472475 2.444290
H -3.850452 0.299357 2.625379
H 1.454147 -0.142175 1.457247
H 0.859683 2.276350 1.506283
H 0.227201 2.410589 -0.159125
H 2.101247 4.025884 -0.716866
H 1.055022 4.639983 0.585512
H 4.217441 0.726225 0.551993
H 2.714633 4.129644 2.306302
H 3.626951 4.870043 0.983946
H 4.921398 2.807879 1.594383
H 2.970189 -1.850217 1.959640
H 2.299691 -0.841156 -2.209059
H 4.560392 -3.659299 1.271218
H 3.899771 -2.638258 -2.901801
H 5.035935 -4.057692 -1.165651


