%chk=000212917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212917

0 1
O 0.224795 1.631975 0.175546
O 1.404988 0.773727 -1.598930
O -5.640540 -1.279921 1.407943
O -5.513356 0.945846 0.984513
N -4.202540 -0.609752 -0.207434
N 2.467430 1.552394 0.343877
C -1.892351 0.422500 0.093765
C -1.170236 -0.942877 0.102826
C -3.217156 0.366386 -0.726517
C -1.017947 1.511936 -0.577869
C -2.186552 0.848135 1.539437
C -0.844794 -1.508403 -1.285248
C -0.310920 -2.936078 -1.195179
C 5.346256 -1.045259 0.620269
C 3.954701 -0.406577 0.821666
C 3.785711 0.921748 0.072452
C 1.387971 1.235097 -0.475684
C -5.114318 -0.175528 0.750812
C 6.462714 -0.168020 1.198668
C 5.614403 -1.370227 -0.852991
H -0.228568 -0.834582 0.680114
H -1.773010 -1.675111 0.673430
H -3.004224 0.076969 -1.783252
H -3.692279 1.376610 -0.757674
H -0.797933 1.289903 -1.638855
H -1.455954 2.521720 -0.480460
H -2.877677 1.700080 1.584273
H -1.262638 1.154080 2.049234
H -2.632757 0.041949 2.129801
H -0.087310 -0.862672 -1.786150
H -1.739439 -1.486938 -1.936578
H -3.883880 -1.581020 -0.156717
H 0.598171 -2.988646 -0.585276
H -1.043670 -3.621412 -0.756117
H -0.055012 -3.321347 -2.189570
H 5.341028 -2.012243 1.189122
H 3.778613 -0.259599 1.904467
H 3.177679 -1.122008 0.484182
H 3.891404 0.765130 -1.028244
H 4.568613 1.653290 0.375656
H 2.277347 1.826851 1.307317
H 6.570064 0.774639 0.651449
H 6.278337 0.078802 2.249291
H 7.430904 -0.679376 1.147214
H 4.796925 -1.953506 -1.291950
H 6.533972 -1.954586 -0.968347
H 5.729973 -0.466246 -1.460937
H -6.407541 -1.022335 1.986054


%chk=000212917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212917

0 1
O 0.247738 1.692765 0.267895
O 1.479183 0.680111 -1.487812
O -6.145821 -1.310769 0.788198
O -5.781165 1.011300 0.685662
N -4.233575 -0.541248 -0.181105
N 2.490162 1.422611 0.497946
C -1.930403 0.461339 0.201104
C -1.244169 -0.939345 0.260403
C -3.238929 0.427390 -0.654520
C -1.015185 1.509685 -0.486046
C -2.260343 0.923956 1.642893
C -0.965342 -1.651484 -1.085352
C -0.201832 -2.978692 -0.879513
C 5.513297 -1.064319 0.413610
C 4.101192 -0.488670 0.720699
C 3.843795 0.938581 0.177688
C 1.427592 1.209806 -0.345367
C -5.393976 -0.160608 0.440942
C 6.644253 -0.254094 1.095376
C 5.771302 -1.209618 -1.106673
H -0.284896 -0.823550 0.804552
H -1.867263 -1.600809 0.898102
H -2.995622 0.201349 -1.710650
H -3.724047 1.419599 -0.624914
H -0.763674 1.222166 -1.523290
H -1.499616 2.502691 -0.480188
H -2.767296 1.906570 1.644202
H -1.335332 1.011258 2.239238
H -2.929399 0.200121 2.141981
H -0.364119 -0.994641 -1.741046
H -1.915406 -1.862518 -1.618860
H -4.070809 -1.540069 -0.311071
H 0.783738 -2.791243 -0.412913
H -0.761433 -3.669496 -0.219853
H -0.025011 -3.494492 -1.840945
H 5.529316 -2.084982 0.851246
H 3.944087 -0.487123 1.819135
H 3.334057 -1.159377 0.284740
H 3.943508 0.950491 -0.920548
H 4.573640 1.655177 0.595724
H 2.292497 1.838691 1.408536
H 6.738934 0.758534 0.659824
H 6.462933 -0.143661 2.181367
H 7.619432 -0.758730 0.964770
H 4.953236 -1.765110 -1.601546
H 6.715783 -1.753825 -1.292663
H 5.856705 -0.223933 -1.601017
H -6.982322 -1.006288 1.223459


