%chk=000186680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186680

0 1
O 0.475820 0.727065 -1.751346
N 1.635135 0.809716 0.236631
N -0.330670 -0.625042 0.008835
N 0.179357 -1.940573 -0.190857
C -1.740977 -0.324869 -0.431359
C -2.316701 0.724342 0.530004
C 1.813962 0.304554 1.637535
C 2.706552 1.695220 -0.342415
C -3.780099 1.072162 0.185705
C 0.632481 0.337876 -0.598792
C -0.021983 -2.520584 -1.561450
C -0.302130 -2.817827 0.934491
C 2.089532 1.474932 2.591285
C 2.931450 -0.743754 1.686257
C 2.094658 3.027325 -0.787631
C 3.424917 0.992693 -1.499457
C -4.422414 1.842467 1.348089
C -3.867855 1.889045 -1.109123
C -1.344393 -3.230714 -1.846479
C 0.574823 -4.066401 1.016260
H -2.346983 -1.255430 -0.401574
H -1.773525 0.048431 -1.481716
H -2.249231 0.349632 1.569689
H -1.693878 1.639894 0.506765
H 0.848388 -0.181492 1.955283
H 3.448767 1.890576 0.478594
H -4.349982 0.120475 0.042063
H 0.136616 -1.705010 -2.307810
H 0.823248 -3.233534 -1.698816
H -0.211455 -2.233699 1.880146
H -1.372135 -3.098181 0.839452
H 3.054743 1.956663 2.396206
H 1.315533 2.247124 2.504917
H 2.100731 1.129858 3.630622
H 3.901976 -0.338419 1.385526
H 2.697493 -1.577860 1.007192
H 3.040816 -1.157416 2.693108
H 1.355979 2.869675 -1.591848
H 1.573741 3.528637 0.033681
H 2.859703 3.705867 -1.174571
H 2.735112 0.815348 -2.341285
H 3.822632 0.018218 -1.199084
H 4.252114 1.598714 -1.878947
H -3.889943 2.777134 1.555168
H -4.423775 1.252209 2.269925
H -5.461847 2.103968 1.123070
H -3.350970 2.850813 -1.015344
H -3.405416 1.359947 -1.950385
H -4.907009 2.099604 -1.380028
H -1.450474 -4.153058 -1.265029
H -2.210391 -2.595515 -1.618939
H -1.413634 -3.504332 -2.906099
H 0.412676 -4.741664 0.168756
H 1.641068 -3.803516 1.020883
H 0.366150 -4.626590 1.934144


%chk=000186680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186680

0 1
O 0.073001 1.497227 -1.241479
N 1.758520 0.646426 0.145096
N -0.414258 -0.432256 -0.020676
N 0.121067 -1.763243 0.108093
C -1.838788 -0.241292 -0.450660
C -2.565743 0.792621 0.434268
C 2.114040 -0.018441 1.435835
C 2.777262 1.561049 -0.469651
C -4.063720 0.985953 0.075186
C 0.480007 0.615112 -0.408535
C 0.395087 -2.462517 -1.181966
C -0.541871 -2.541846 1.181230
C 2.457922 1.017487 2.536769
C 3.244554 -1.057452 1.257117
C 2.451708 3.064567 -0.282717
C 3.029056 1.211178 -1.955230
C -4.763083 1.843368 1.157510
C -4.250702 1.626820 -1.322512
C -0.808727 -3.040910 -1.972036
C 0.246566 -3.808470 1.565593
H -2.341173 -1.220924 -0.359106
H -1.869180 0.074752 -1.509887
H -2.481025 0.469237 1.491727
H -2.044612 1.765298 0.346258
H 1.210474 -0.558456 1.752242
H 3.713561 1.348136 0.081125
H -4.549854 -0.014871 0.066263
H 0.946083 -1.743879 -1.816109
H 1.101624 -3.282946 -0.952884
H -0.614044 -1.866768 2.054595
H -1.588176 -2.835009 0.921501
H 3.373001 1.590361 2.299562
H 1.627948 1.732278 2.678779
H 2.632523 0.493739 3.495110
H 4.189357 -0.585536 0.928298
H 2.943975 -1.810402 0.509652
H 3.446412 -1.570789 2.215942
H 1.535841 3.322321 -0.836776
H 2.299623 3.309884 0.783016
H 3.291185 3.677827 -0.662029
H 2.124723 1.403764 -2.555364
H 3.312866 0.148229 -2.063386
H 3.852365 1.832855 -2.353150
H -4.304697 2.849848 1.211418
H -4.676760 1.378915 2.157929
H -5.838249 1.974383 0.932656
H -3.744150 2.609707 -1.365390
H -3.828766 0.999842 -2.128193
H -5.323120 1.784327 -1.543970
H -1.409879 -3.733475 -1.353816
H -1.472575 -2.246188 -2.350621
H -0.435545 -3.611278 -2.843453
H 0.252137 -4.557345 0.753473
H 1.292726 -3.556694 1.813669
H -0.218212 -4.281819 2.449582


