%chk=000221377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221377

0 1
O 0.305752 -3.744860 2.823116
O -1.663607 4.980360 0.156758
O -0.654719 0.476015 -1.753929
O 4.293978 0.122251 -3.351635
O 2.876156 -1.436409 -2.865260
N 0.255084 -1.245500 1.414197
N -1.010902 2.256259 0.682120
N 3.428169 -0.370927 -2.646072
C 0.322174 0.257395 1.267669
C -1.017071 0.766289 0.625409
C -0.868976 -1.657005 2.326223
C 1.535771 -1.805452 1.970902
C -2.365657 2.801424 1.035901
C -0.520547 2.938306 -0.559054
C 1.539206 0.652861 0.452482
C -1.252105 0.134331 -0.761733
C -0.939341 -3.192242 2.354244
C 1.421315 -3.338212 2.005293
C -2.205675 4.308399 1.308893
C -0.389069 4.436419 -0.250448
C 1.901436 -0.038118 -0.713169
C 2.313176 1.746078 0.874440
C -2.290351 -0.946223 -0.787521
C 3.035083 0.370936 -1.426546
C 3.436814 2.150869 0.144421
C 3.807334 1.467995 -1.013367
C -3.646198 -0.627592 -0.638241
C -1.889423 -2.273188 -0.983921
C -4.603116 -1.644707 -0.681547
C -2.851898 -3.287444 -1.019811
C -4.206098 -2.973834 -0.869950
H 0.390088 0.760661 2.274571
H -1.843906 0.400137 1.304694
H -0.746631 -1.268347 3.360365
H -1.827013 -1.251570 1.928705
H 2.385653 -1.518469 1.316321
H 1.763772 -1.420646 2.988342
H -2.738232 2.294666 1.949972
H -3.117993 2.644904 0.233334
H -1.195833 2.790850 -1.432461
H 0.460055 2.508672 -0.858510
H -1.169253 -3.609632 1.357170
H -1.662660 -3.562154 3.101951
H 2.278074 -3.808194 2.519722
H 1.300790 -3.763335 0.992975
H -1.550648 4.497318 2.177659
H -3.179267 4.811777 1.443158
H -0.158314 5.028059 -1.154238
H 0.354566 4.634572 0.540204
H 1.305272 -0.889051 -1.070331
H 2.026668 2.298896 1.772336
H 4.024664 3.004954 0.481777
H 4.680494 1.772980 -1.598872
H -3.957136 0.407232 -0.505130
H -0.829576 -2.510344 -1.102225
H -5.659411 -1.402494 -0.574924
H -2.544485 -4.321021 -1.175735
H -4.955035 -3.764496 -0.905495


%chk=000221377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221377

0 1
O 0.897848 -3.773071 3.226950
O -1.807589 4.599564 -0.347613
O -0.431959 -0.500909 -1.488159
O 5.005573 0.247728 -2.851279
O 3.664266 -1.531017 -2.369866
N 0.625644 -1.346517 1.606212
N -1.090938 1.908994 0.441135
N 4.054472 -0.315729 -2.180318
C 0.452696 0.113910 1.345108
C -0.949590 0.444711 0.697786
C -0.554676 -2.020774 2.214894
C 1.821423 -1.600460 2.465032
C -2.351113 2.531587 0.918453
C -0.721389 2.434507 -0.904397
C 1.651377 0.670599 0.574271
C -1.295646 -0.369284 -0.568869
C -0.277446 -3.525433 2.382002
C 2.064966 -3.107591 2.625055
C -2.172799 4.062112 0.969329
C -0.564810 3.960765 -0.819484
C 2.286592 -0.080005 -0.442764
C 2.147922 1.960057 0.887386
C -2.686165 -0.912858 -0.763388
C 3.381196 0.483770 -1.124606
C 3.240455 2.515727 0.178097
C 3.870649 1.780850 -0.843945
C -3.751052 -0.723131 0.161630
C -2.937525 -1.654799 -1.952596
C -5.029266 -1.263082 -0.096418
C -4.211130 -2.196688 -2.207052
C -5.263191 -2.002480 -1.278456
H 0.408554 0.679863 2.313929
H -1.686080 0.212731 1.484511
H -0.808471 -1.581669 3.214097
H -1.435466 -1.921245 1.557885
H 2.710083 -1.139606 2.000719
H 1.686509 -1.140817 3.476737
H -2.579624 2.163646 1.937122
H -3.216488 2.293749 0.254908
H -1.502027 2.197199 -1.663569
H 0.220233 1.974041 -1.240502
H -0.124620 -3.981132 1.379991
H -1.120085 -4.022784 2.890411
H 2.904327 -3.299980 3.313253
H 2.284810 -3.558299 1.633711
H -1.385964 4.316469 1.712905
H -3.117806 4.560416 1.242956
H -0.373509 4.392647 -1.815235
H 0.270383 4.216220 -0.132970
H 1.928951 -1.080486 -0.693563
H 1.668507 2.533564 1.688342
H 3.605398 3.516232 0.432420
H 4.720467 2.172814 -1.408425
H -3.599999 -0.155372 1.085323
H -2.109936 -1.788517 -2.656876
H -5.841272 -1.108243 0.622220
H -4.388951 -2.768448 -3.124153
H -6.255320 -2.423646 -1.475078


