%chk=000188639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188639

0 1
O 3.105511 1.117003 -0.042607
O -0.400952 0.901905 0.374661
N -0.902012 -2.464084 -0.525532
C 1.765715 1.622246 -0.383121
C 2.774471 -0.325467 -0.008890
C 0.957625 1.030202 0.835699
C 1.644958 -0.337711 1.064519
C 1.421251 0.813043 -1.661628
C 2.153246 -0.527993 -1.420340
C 1.810067 3.119566 -0.487251
C 3.996573 -1.135858 0.312021
C 3.783245 -2.616519 0.300532
C 5.171147 -0.563160 0.579149
C -1.355507 0.584621 1.416864
C -2.649905 0.356658 0.679627
C -2.815548 -0.753892 -0.173853
C -3.712413 1.257309 0.838174
C -4.030125 -0.953731 -0.852966
C -4.919982 1.053022 0.165811
C -5.079902 -0.050888 -0.678900
C -1.753233 -1.696907 -0.367806
H 0.990966 1.684172 1.722797
H 2.064839 -0.424571 2.076413
H 0.949758 -1.178532 0.916958
H 1.783136 1.319111 -2.567302
H 0.330923 0.678190 -1.767613
H 1.469140 -1.390180 -1.453639
H 2.938699 -0.700984 -2.171633
H 2.222459 3.574660 0.423427
H 2.458037 3.440394 -1.315172
H 0.808822 3.534862 -0.657468
H 2.939181 -2.911042 0.939420
H 3.559159 -2.975862 -0.714486
H 4.665268 -3.167097 0.651603
H 6.069271 -1.111260 0.811823
H 5.304726 0.513202 0.574644
H -1.405862 1.435761 2.120573
H -1.026348 -0.320495 1.962302
H -3.594327 2.127999 1.483689
H -4.147739 -1.813024 -1.514873
H -5.739718 1.760024 0.297107
H -6.022419 -0.204993 -1.203730


%chk=000188639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188639

0 1
O 3.197383 1.162870 -0.007221
O -0.431941 0.973946 0.249476
N -0.943325 -2.404603 -0.751897
C 1.845212 1.653948 -0.427563
C 2.855952 -0.301577 -0.004310
C 0.962508 1.050699 0.714084
C 1.648964 -0.328653 0.996175
C 1.586076 0.855536 -1.738518
C 2.300580 -0.508331 -1.455779
C 1.843524 3.168757 -0.530998
C 4.040826 -1.157861 0.378308
C 3.772931 -2.652906 0.420842
C 5.254288 -0.615625 0.655538
C -1.372262 0.589991 1.314921
C -2.723146 0.351601 0.674104
C -2.921333 -0.742350 -0.224944
C -3.814367 1.206835 0.941218
C -4.187621 -0.955661 -0.833070
C -5.076376 0.993782 0.340218
C -5.262682 -0.088489 -0.549470
C -1.840126 -1.648800 -0.517572
H 1.012605 1.708704 1.607574
H 2.018760 -0.395367 2.033415
H 0.968270 -1.173868 0.794722
H 2.049551 1.383577 -2.589282
H 0.507946 0.739742 -1.933028
H 1.609779 -1.366669 -1.514150
H 3.138368 -0.677624 -2.153361
H 2.149959 3.628988 0.425460
H 2.541436 3.505687 -1.317043
H 0.830299 3.528256 -0.784271
H 2.966876 -2.899513 1.138952
H 3.443232 -3.031400 -0.565895
H 4.678721 -3.208527 0.717209
H 6.108535 -1.247360 0.927131
H 5.409673 0.466214 0.609990
H -1.440645 1.397310 2.074700
H -1.011539 -0.332848 1.818769
H -3.671354 2.054512 1.620771
H -4.318105 -1.798542 -1.518904
H -5.907859 1.671187 0.561710
H -6.237371 -0.255865 -1.019010


