%chk=000217632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217632

0 1
O 2.779450 -0.790149 2.687271
O 0.751360 -1.704344 -1.377324
O -2.980338 2.326757 -0.742770
O -5.140191 -3.302005 -0.187451
N 1.448927 -1.205761 0.803167
N -1.460929 0.885524 0.204737
N 0.762423 1.613265 0.756550
C 0.180494 -0.683657 1.335130
C -0.163140 0.674228 0.730362
C 3.743613 -1.539566 0.544406
C 3.114785 -1.839966 -0.696952
C 2.699865 -1.103651 1.531984
C 1.638527 -1.597503 -0.571065
C -1.848753 2.178702 -0.336243
C -0.786502 3.192407 -0.311251
C -2.431823 -0.196259 0.140705
C 0.484605 2.888045 0.227227
C 5.106237 -1.667662 0.703973
C 3.846117 -2.270767 -1.782573
C -1.033534 4.482529 -0.831678
C -2.269305 -1.218119 -0.819067
C -3.533031 -0.182156 1.006262
C 1.501972 3.874585 0.247045
C 5.860530 -2.107964 -0.410278
C 5.246437 -2.402446 -1.621754
C -0.032960 5.439819 -0.809498
C 1.235036 5.131489 -0.267651
C -3.200569 -2.242273 -0.888800
C -4.479096 -1.209180 0.941923
C -4.304310 -2.226051 -0.005107
C -6.337629 -3.377340 0.624493
H -0.623014 -1.440160 1.157872
H 0.279543 -0.559675 2.448121
H 5.592416 -1.437283 1.653015
H 3.368024 -2.501573 -2.735615
H -2.021667 4.701928 -1.246380
H -1.404589 -1.207254 -1.494822
H -3.662120 0.632508 1.720415
H 2.474513 3.622043 0.670711
H 6.941778 -2.213612 -0.306127
H 5.844879 -2.740010 -2.469685
H -0.215548 6.436006 -1.208360
H 2.009196 5.900534 -0.258187
H -3.106313 -3.049603 -1.613606
H -5.333557 -1.195093 1.610600
H -6.980883 -2.513038 0.434765
H -6.074594 -3.469290 1.681839
H -6.801032 -4.300763 0.252071


%chk=000217632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217632

0 1
O 2.678823 -0.986112 2.740397
O 0.996574 -1.500211 -1.623367
O -3.133893 2.404748 -0.521535
O -5.362178 -3.265204 -0.174766
N 1.524905 -1.185154 0.669414
N -1.493186 0.866794 0.192135
N 0.805944 1.523229 0.516646
C 0.203900 -0.760951 1.119286
C -0.156803 0.620300 0.563108
C 3.813781 -1.590322 0.602544
C 3.306619 -1.752996 -0.710481
C 2.680326 -1.214081 1.507501
C 1.834543 -1.480918 -0.685683
C -1.925494 2.184672 -0.230469
C -0.843599 3.185011 -0.289907
C -2.489932 -0.197587 0.142202
C 0.491165 2.818187 0.072206
C 5.172965 -1.780569 0.890838
C 4.142122 -2.111356 -1.778528
C -1.128076 4.507471 -0.720157
C -2.420666 -1.168671 -0.887169
C -3.540194 -0.226689 1.079714
C 1.526128 3.790552 -0.003561
C 6.027732 -2.141817 -0.183555
C 5.520079 -2.304867 -1.497578
C -0.096808 5.458215 -0.792270
C 1.232777 5.095520 -0.432304
C -3.392742 -2.180245 -0.956939
C -4.524397 -1.237028 1.013176
C -4.447986 -2.217674 -0.008562
C -6.488102 -3.340245 0.760841
H -0.547936 -1.513814 0.842322
H 0.250865 -0.698172 2.223045
H 5.553337 -1.651809 1.908942
H 3.739928 -2.233447 -2.789044
H -2.160006 4.752915 -0.991435
H -1.599677 -1.136516 -1.611547
H -3.602131 0.547773 1.850478
H 2.538213 3.489127 0.282446
H 7.095853 -2.296868 0.002529
H 6.203560 -2.583751 -2.306682
H -0.312679 6.478927 -1.125064
H 2.032841 5.841870 -0.489583
H -3.359391 -2.945538 -1.737612
H -5.335932 -1.241638 1.746228
H -7.119254 -2.432417 0.703141
H -6.137539 -3.485539 1.801242
H -7.069077 -4.216913 0.439817


