%chk=000216634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216634

0 1
O 0.610450 2.014736 -0.212991
N 1.172068 0.244933 1.084244
N 4.563834 -0.423072 -0.419119
C -1.251374 0.800053 0.849004
C -1.455864 -0.711500 0.811896
C -2.236906 1.459156 -0.121196
C -1.525506 1.469902 2.227486
C 0.240309 1.091458 0.496263
C 2.620815 0.407319 0.821822
C 3.081831 -0.577333 -0.277323
C -1.969199 -1.440091 1.890373
C -1.968334 2.698825 -0.717667
C -1.124950 -1.390268 -0.377619
C -3.480111 0.847530 -0.361539
C 4.908274 0.731725 -1.313656
C 5.223851 -1.695777 -0.830772
C -0.714008 0.994391 3.317514
C -2.134689 -2.827210 1.790141
C -2.909313 3.301138 -1.558447
C -1.291878 -2.770889 -0.474206
C -4.419452 1.452238 -1.199338
C 6.351674 1.172974 -1.067717
C 4.804693 -2.270864 -2.186833
C -1.795632 -3.495746 0.613016
C -4.136664 2.681245 -1.803662
C -0.046610 0.614124 4.246347
H -1.378811 2.574928 2.113699
H -2.607690 1.349200 2.477802
H 2.828659 1.459488 0.508809
H 3.186984 0.232438 1.762770
H 2.523210 -0.386700 -1.218393
H 2.837729 -1.617580 0.024968
H 0.894525 -0.531577 1.677667
H -2.249005 -0.944560 2.819475
H -1.007899 3.200735 -0.547676
H -0.744480 -0.828404 -1.232476
H -3.725383 -0.109023 0.100796
H 4.221842 1.576169 -1.073166
H 4.756854 0.500596 -2.390358
H 5.031585 -2.442022 -0.027639
H 6.322579 -1.513886 -0.824149
H -2.532469 -3.383410 2.637993
H -2.678706 4.258829 -2.022779
H -1.033944 -3.285920 -1.398559
H -5.374856 0.963512 -1.381291
H 6.546352 1.298256 0.005999
H 7.074683 0.441287 -1.443818
H 6.556320 2.129936 -1.558839
H 3.739898 -2.523807 -2.213900
H 5.363991 -3.184539 -2.414822
H 4.992782 -1.561985 -3.001644
H -1.924903 -4.573633 0.537283
H -4.867513 3.150442 -2.458581
H 0.527759 0.294735 5.042603


%chk=000216634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216634

0 1
O 0.920123 1.832247 0.623338
N 1.073828 -0.463429 0.863048
N 4.523299 -0.415857 -0.742481
C -1.203633 0.609323 0.962928
C -1.679459 -0.839892 1.212365
C -1.961270 1.188358 -0.270468
C -1.523828 1.599604 2.155191
C 0.352843 0.703645 0.781438
C 2.543552 -0.465110 0.773688
C 3.051810 -0.561198 -0.690399
C -2.148764 -1.304763 2.467031
C -1.337287 1.939602 -1.297772
C -1.656407 -1.760501 0.125064
C -3.369514 1.001205 -0.332154
C 4.965555 1.002753 -0.753435
C 5.197480 -1.302709 -1.721350
C -0.794486 1.364582 3.413878
C -2.577597 -2.643262 2.631563
C -2.099854 2.466912 -2.366634
C -2.076406 -3.096980 0.288569
C -4.130790 1.535918 -1.391966
C 6.436203 1.184494 -0.334018
C 4.945730 -0.991912 -3.223642
C -2.540254 -3.547256 1.547649
C -3.497174 2.271394 -2.420598
C -0.184037 1.215879 4.475239
H -1.259936 2.609101 1.790624
H -2.615115 1.589203 2.337562
H 2.908141 0.472566 1.226700
H 2.943410 -1.311776 1.357871
H 2.519394 0.208713 -1.296523
H 2.772939 -1.549141 -1.104185
H 0.574077 -1.343350 1.003889
H -2.173496 -0.632055 3.328710
H -0.262384 2.131883 -1.252098
H -1.330976 -1.412891 -0.862384
H -3.871647 0.412875 0.445272
H 4.322907 1.554396 -0.042932
H 4.800090 1.483518 -1.750263
H 4.871806 -2.338989 -1.506786
H 6.285005 -1.275674 -1.521973
H -2.938864 -2.976412 3.611086
H -1.596265 3.039930 -3.153706
H -2.051466 -3.782714 -0.565876
H -5.214625 1.375189 -1.417462
H 6.612051 0.719351 0.652138
H 7.136408 0.730568 -1.058784
H 6.681260 2.260448 -0.265117
H 3.867433 -1.029092 -3.466077
H 5.462583 -1.735742 -3.858624
H 5.323828 0.008313 -3.502501
H -2.873224 -4.582973 1.677447
H -4.084241 2.685152 -3.248278
H 0.358644 1.089055 5.393991


