%chk=000264663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264663

0 1
O -4.837730 0.675418 1.510251
O -2.137779 2.647274 -0.900233
N 0.000688 -1.991846 -0.052993
N 2.235140 1.059766 -0.231899
N -3.261432 2.837343 1.061735
N -3.341424 4.254150 0.950425
C -2.101320 -0.155574 -1.006470
C -2.277798 -1.692815 -0.959181
C -0.597363 0.164868 -1.082452
C 0.192595 -0.497449 0.061146
C -2.795489 0.557039 0.184859
C -1.439126 -2.337394 0.168644
C -3.760404 -2.078587 -0.841859
C -4.270096 0.105899 0.313277
C -4.432560 -1.416456 0.360852
C 1.662749 -0.210921 -0.012511
C 0.899388 -2.753791 0.877395
C 2.668189 -1.147150 0.195068
C 2.370495 -2.580131 0.436619
C -2.712906 2.073277 0.014218
C 3.931209 -0.465234 0.094226
C 3.633274 0.916482 -0.180812
C 5.275109 -0.864476 0.205428
C 4.649700 1.879201 -0.342216
C 6.269695 0.086006 0.046426
C 5.958102 1.443865 -0.225033
H -2.577946 0.226357 -1.945742
H -1.886712 -2.096881 -1.930975
H -0.441709 1.262171 -1.086969
H -0.198308 -0.194631 -2.054814
H -0.185838 -0.105758 1.047239
H -2.248929 0.289330 1.124789
H -1.816949 -2.029322 1.165531
H -1.541082 -3.443096 0.113618
H -3.864315 -3.178864 -0.771877
H -4.288649 -1.792556 -1.773754
H -4.900987 0.565169 -0.483334
H -5.512131 -1.668472 0.386752
H -4.011482 -1.820291 1.302105
H 0.625823 -3.828651 0.819816
H 0.787413 -2.440879 1.937269
H 2.550402 -3.151296 -0.500960
H 3.046394 -3.007608 1.201813
H 1.734703 1.899201 -0.447802
H -4.528327 0.209686 2.313179
H -4.038204 2.459717 1.640689
H 5.513780 -1.904828 0.411457
H 4.408634 2.915525 -0.550700
H 7.315681 -0.200637 0.127537
H 6.777171 2.151942 -0.342961
H -3.473707 4.536170 -0.033445
H -2.430532 4.648035 1.225829


%chk=000264663-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264663

0 1
O -4.879074 0.700424 1.627290
O -2.194814 2.718414 -1.012987
N 0.023708 -2.010626 -0.039618
N 2.284549 1.004499 -0.174601
N -3.430932 2.900210 0.938253
N -3.592199 4.313061 0.793166
C -2.080285 -0.117548 -0.975404
C -2.274899 -1.663618 -0.952270
C -0.559586 0.189730 -1.034710
C 0.234278 -0.537287 0.075249
C -2.806080 0.616047 0.200799
C -1.406119 -2.343358 0.136688
C -3.766349 -2.047302 -0.832944
C -4.282370 0.131766 0.381609
C -4.430230 -1.398065 0.400407
C 1.714414 -0.264512 0.019707
C 0.920796 -2.793007 0.852493
C 2.722471 -1.209746 0.180643
C 2.398831 -2.664416 0.410778
C -2.766626 2.156170 -0.020907
C 3.987573 -0.509560 0.072540
C 3.681094 0.884090 -0.149933
C 5.348693 -0.907541 0.144927
C 4.685129 1.863635 -0.300823
C 6.355738 0.067301 -0.004330
C 6.028379 1.437795 -0.225598
H -2.527913 0.273899 -1.910767
H -1.889988 -2.042092 -1.920433
H -0.412192 1.281425 -0.981357
H -0.162604 -0.154512 -2.007894
H -0.149295 -0.180796 1.075001
H -2.278719 0.399065 1.154404
H -1.763070 -2.060794 1.163411
H -1.518490 -3.441081 0.049297
H -3.879096 -3.147776 -0.782312
H -4.299611 -1.715241 -1.746604
H -4.906721 0.556716 -0.425348
H -5.506962 -1.647210 0.444246
H -3.965698 -1.796119 1.327727
H 0.603680 -3.851395 0.806943
H 0.824984 -2.458681 1.918438
H 2.556596 -3.252240 -0.515252
H 3.051986 -3.104247 1.190533
H 1.765086 1.859946 -0.360387
H -4.650443 0.100522 2.382521
H -4.100446 2.413539 1.555831
H 5.614087 -1.957846 0.312118
H 4.438456 2.917884 -0.471339
H 7.410033 -0.227291 0.048763
H 6.834165 2.171876 -0.338941
H -3.584433 4.547891 -0.212258
H -2.824381 4.806300 1.272433


