%chk=000211989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211989

0 1
O 0.334447 2.860563 -0.814285
O 1.515692 -0.063254 -0.492698
N -2.246245 0.312622 0.015170
C -2.546777 -0.599162 -1.147147
C -3.220647 0.318788 1.158127
C -4.000260 -1.147647 -1.094513
C -3.668448 -1.141347 1.428357
C -4.365483 -1.805604 0.237521
C -1.693029 1.653051 -0.307395
C -1.525338 -1.752288 -1.055459
C -2.390083 0.082627 -2.527925
C -4.441649 1.232476 0.909579
C -2.478812 0.818680 2.422316
C -0.209276 1.520962 -0.725746
C 0.672024 0.821401 0.311144
C 2.800196 -0.261221 0.017997
C 3.058967 -1.493029 0.653680
C 3.809569 0.697386 -0.198284
C 4.368618 -1.759529 1.076963
C 5.107832 0.396745 0.243366
C 1.972405 -2.493099 0.863762
C 3.534242 1.992000 -0.883022
C 5.381237 -0.818468 0.874478
H -4.147001 -1.869650 -1.918248
H -4.703380 -0.311943 -1.292257
H -4.329990 -1.162152 2.312900
H -2.773018 -1.734358 1.705295
H -5.463705 -1.770222 0.372227
H -4.100541 -2.880530 0.212259
H -2.259557 2.188728 -1.097730
H -1.739328 2.312684 0.592573
H -1.632792 -2.301939 -0.114853
H -0.493636 -1.369074 -1.078874
H -1.640935 -2.460770 -1.878053
H -3.027087 0.964849 -2.630004
H -2.656355 -0.609991 -3.333600
H -1.349367 0.384514 -2.713437
H -5.168839 1.149174 1.722265
H -4.958561 0.962344 -0.019408
H -4.156784 2.284695 0.833748
H -3.127098 0.779675 3.301626
H -2.135919 1.854419 2.311388
H -1.592322 0.208137 2.627420
H -0.103273 1.021905 -1.721909
H 0.094958 0.160292 0.983952
H 1.278493 1.540796 0.886558
H -0.023343 3.329473 -1.588193
H 4.594829 -2.704185 1.565971
H 5.906977 1.118274 0.087545
H 1.781762 -2.659648 1.931791
H 2.227677 -3.462501 0.415041
H 1.025300 -2.163999 0.402962
H 3.812502 2.849534 -0.256323
H 4.095438 2.069956 -1.823852
H 2.465435 2.116400 -1.136865
H 6.393880 -1.035843 1.210296


%chk=000211989-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211989

0 1
O 0.437440 2.683139 -0.988141
O 1.857967 0.029801 -0.642970
N -2.408449 0.273544 -0.175033
C -2.887314 -0.530430 -1.363620
C -3.112386 0.144504 1.151793
C -4.354718 -1.010754 -1.146678
C -3.632382 -1.313525 1.299197
C -4.592317 -1.778462 0.175818
C -1.655061 1.511349 -0.414665
C -1.955406 -1.762746 -1.586736
C -2.906662 0.306830 -2.674859
C -4.283474 1.168939 1.313631
C -2.118781 0.368604 2.330048
C -0.173246 1.338757 -0.876328
C 0.683540 0.549557 0.101085
C 3.055375 -0.125653 0.110884
C 3.201490 -1.219431 1.006807
C 4.102095 0.806922 -0.131098
C 4.437331 -1.359813 1.686797
C 5.319626 0.630531 0.571750
C 2.077051 -2.219370 1.208027
C 3.909013 1.937733 -1.121824
C 5.488480 -0.440504 1.477720
H -4.640451 -1.646638 -2.006719
H -5.010455 -0.120035 -1.188248
H -4.129936 -1.404428 2.283541
H -2.745348 -1.975161 1.333852
H -5.645002 -1.639167 0.486692
H -4.460137 -2.865121 0.016988
H -2.141292 2.176821 -1.165661
H -1.618519 2.101814 0.516779
H -1.955913 -2.425600 -0.704356
H -0.913684 -1.437409 -1.758642
H -2.280974 -2.354849 -2.464692
H -3.565476 1.189655 -2.583103
H -3.302730 -0.324531 -3.490514
H -1.902133 0.643280 -2.984760
H -4.717201 1.112514 2.330287
H -5.093131 0.987528 0.587089
H -3.917167 2.201640 1.162456
H -2.632346 0.159529 3.286563
H -1.738469 1.403782 2.386282
H -1.256088 -0.315482 2.245445
H -0.126727 0.825136 -1.858226
H 0.090931 -0.295638 0.495273
H 1.014076 1.204928 0.930342
H 0.012001 3.169435 -1.739135
H 4.573181 -2.201829 2.376633
H 6.137784 1.341277 0.404167
H 1.333651 -1.857693 1.945978
H 2.469103 -3.181150 1.581269
H 1.538315 -2.399582 0.260772
H 4.727722 2.674366 -1.043335
H 3.892419 1.550121 -2.158429
H 2.940841 2.447149 -0.969838
H 6.437550 -0.562490 2.011839


