%chk=000218331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218331

0 1
O 1.188295 -0.817026 -1.070448
O -0.006204 -1.873776 0.530316
N 4.408871 1.305877 -0.192202
C 4.802103 -0.104114 -0.552174
C 3.620567 1.082632 1.074045
C 5.175804 -0.797481 0.792815
C 4.394482 -0.013068 1.867760
C 3.541465 -0.739452 -1.179754
C 2.238121 0.571242 0.615863
C 2.370834 -0.729130 -0.187936
C 5.576411 2.209844 -0.004265
C 0.046241 -1.398464 -0.579949
C -1.009940 -1.343668 -1.655367
C -2.364927 -1.127827 -1.039409
C -2.637087 0.223730 -0.498815
C -3.256776 -2.126934 -0.927310
C -3.094658 0.353857 0.833387
C -4.581932 -1.941032 -0.250290
C -3.250844 -0.870733 1.691193
C -4.441922 -1.749600 1.272392
C -2.470612 1.366035 -1.291894
C -3.375683 1.627972 1.342638
C -2.753391 2.632852 -0.772312
C -3.205690 2.762403 0.543192
H 5.641080 -0.122773 -1.277343
H 3.509677 2.019285 1.657524
H 6.260947 -0.746791 0.969585
H 4.911957 -1.865185 0.790532
H 3.712263 -0.662649 2.436565
H 5.073156 0.443430 2.603983
H 3.251129 -0.159618 -2.083387
H 3.750010 -1.765595 -1.524999
H 1.567558 0.422013 1.480765
H 1.756759 1.343676 -0.021658
H 2.366853 -1.623400 0.470981
H 6.300115 1.888014 0.758395
H 5.206830 3.212071 0.267405
H 6.104903 2.310603 -0.966025
H -0.769605 -0.537462 -2.386441
H -0.968344 -2.287537 -2.242107
H -3.053403 -3.126295 -1.304717
H -2.308948 -1.469924 1.630023
H -3.354208 -0.599400 2.759440
H -4.335643 -2.738719 1.759640
H -5.380902 -1.310596 1.661656
H -5.097462 -1.055330 -0.682684
H -5.247085 -2.802672 -0.451630
H -2.124873 1.269592 -2.319708
H -3.729948 1.737493 2.365594
H -2.621166 3.515655 -1.393741
H -3.427082 3.748073 0.948177


%chk=000218331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218331

0 1
O 1.209763 -0.748917 -1.215137
O 0.091773 -1.659070 0.623394
N 4.643962 1.370709 -0.197766
C 4.907867 -0.047077 -0.610106
C 3.723900 1.168820 0.970842
C 5.169564 -0.823501 0.735158
C 4.371711 -0.000337 1.804203
C 3.640261 -0.563171 -1.341267
C 2.334231 0.778259 0.404964
C 2.441838 -0.547026 -0.377992
C 5.870415 2.133755 0.133018
C 0.103331 -1.317677 -0.582000
C -1.050481 -1.483079 -1.571766
C -2.407646 -1.232698 -0.928887
C -2.689885 0.137329 -0.400048
C -3.331859 -2.234060 -0.822751
C -3.302228 0.300699 0.886701
C -4.719874 -2.024162 -0.245974
C -3.560350 -0.909398 1.772756
C -4.726937 -1.824110 1.299254
C -2.346642 1.292286 -1.153638
C -3.587397 1.609707 1.347011
C -2.638442 2.588939 -0.679987
C -3.271097 2.749495 0.574013
H 5.771491 -0.086033 -1.296466
H 3.637790 2.104578 1.549866
H 6.248436 -0.840136 0.970545
H 4.832152 -1.873635 0.673678
H 3.605741 -0.606247 2.319712
H 5.047272 0.402461 2.579621
H 3.431989 0.105484 -2.195118
H 3.801565 -1.585818 -1.730675
H 1.592436 0.675366 1.217214
H 2.000582 1.578088 -0.280222
H 2.486933 -1.394199 0.331597
H 6.495277 1.689215 0.944745
H 5.586573 3.155288 0.442735
H 6.497989 2.218440 -0.772102
H -0.860133 -0.814859 -2.430101
H -1.008731 -2.519734 -1.958610
H -3.069416 -3.237799 -1.185014
H -2.635824 -1.518945 1.792295
H -3.755811 -0.579450 2.810333
H -4.637925 -2.799837 1.816014
H -5.704227 -1.390012 1.589614
H -5.157262 -1.114533 -0.703734
H -5.379555 -2.869977 -0.512969
H -1.864548 1.175141 -2.131076
H -4.050238 1.734281 2.333815
H -2.376831 3.465294 -1.283487
H -3.503406 3.751963 0.951094


