%chk=000211985.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211985

0 1
O -0.219172 0.563565 -2.504443
O 2.004227 0.663753 0.271058
N -2.098947 -0.120818 -0.251755
C -3.021143 -1.146747 -0.854899
C -2.519917 0.455496 1.080490
C -4.421970 -0.486620 -1.004897
C -0.652898 -0.484433 -0.308384
C -4.030129 0.592989 1.182152
C -3.130392 -2.436896 -0.017292
C -2.527299 -1.514336 -2.271895
C -4.886843 0.166123 0.254676
C -1.912538 1.871792 1.180884
C -2.056811 -0.392105 2.290397
C 0.103971 0.602817 -1.102816
C 1.624202 0.357333 -1.102468
C 3.342311 0.620969 0.596292
C 4.380097 0.283915 -0.280079
C 3.581607 0.954060 1.946354
C 5.689488 0.282876 0.216048
C 4.893378 0.943235 2.407960
C 5.950773 0.607997 1.547874
H -5.150974 -1.243344 -1.350558
H -4.379778 0.286711 -1.803181
H -0.187739 -0.560393 0.705744
H -0.491216 -1.474081 -0.786369
H -4.368229 1.081429 2.094299
H -2.157149 -2.916400 0.120006
H -3.536623 -2.226479 0.981224
H -3.792195 -3.167775 -0.490555
H -3.289021 -2.070644 -2.826080
H -2.277917 -0.614857 -2.857347
H -1.625522 -2.137940 -2.246543
H -5.963724 0.286831 0.357127
H -2.207081 2.479498 0.316124
H -2.253290 2.389453 2.082079
H -0.817568 1.847817 1.212408
H -0.973368 -0.566720 2.269231
H -2.283960 0.107931 3.236174
H -2.553475 -1.369276 2.304048
H -0.133845 1.624356 -0.726620
H 2.136645 1.046458 -1.796613
H 1.894236 -0.685531 -1.330525
H -1.208182 0.506076 -2.605135
H 4.193504 0.030638 -1.317475
H 2.746959 1.212695 2.591734
H 6.511435 0.023990 -0.451626
H 5.102338 1.198060 3.447005
H 6.971045 0.603735 1.921468


%chk=000211985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211985

0 1
O -0.735027 1.677387 -1.407275
O 2.197691 0.686386 0.590604
N -2.126146 0.073260 0.067885
C -2.436982 -1.243703 -0.632204
C -3.201998 0.680563 0.951109
C -3.718234 -1.031243 -1.490130
C -0.738395 0.221524 0.597165
C -4.580626 0.419153 0.362513
C -2.646426 -2.429782 0.354386
C -1.288881 -1.610700 -1.612322
C -4.823582 -0.329022 -0.738809
C -2.994965 2.226149 0.982819
C -3.198103 0.166924 2.432196
C 0.021107 1.358216 -0.203613
C 1.428746 0.944979 -0.641826
C 3.544970 0.314138 0.455691
C 4.211954 0.170103 -0.787082
C 4.237826 0.078646 1.670141
C 5.574508 -0.210140 -0.800391
C 5.594335 -0.299478 1.638947
C 6.273138 -0.447035 0.403516
H -4.068779 -2.019713 -1.847801
H -3.455088 -0.450700 -2.399303
H -0.737451 0.471082 1.669854
H -0.186542 -0.727127 0.500463
H -5.406643 0.914331 0.891051
H -1.824970 -2.475999 1.092899
H -3.604365 -2.345226 0.894720
H -2.654354 -3.386466 -0.200386
H -1.651019 -2.393085 -2.303916
H -0.977238 -0.734233 -2.207802
H -0.402767 -2.021924 -1.096958
H -5.850488 -0.434399 -1.113487
H -3.045129 2.650917 -0.033501
H -3.779030 2.697982 1.602530
H -2.016849 2.491762 1.422711
H -2.283321 0.471271 2.972208
H -4.054781 0.610340 2.972480
H -3.291252 -0.928384 2.490124
H 0.104732 2.260975 0.437794
H 1.897619 1.762547 -1.223268
H 1.386968 0.031431 -1.269550
H -1.626972 1.204885 -1.203654
H 3.691290 0.350109 -1.732004
H 3.698450 0.199376 2.614956
H 6.088067 -0.319526 -1.762500
H 6.124437 -0.478768 2.581191
H 7.327870 -0.740583 0.383129


