%chk=000285690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285690

0 1
O -2.024487 0.702368 0.647120
O -4.404393 1.376244 1.246762
N -5.454171 0.495525 -0.585256
N 3.494486 0.054769 0.085901
N 5.586340 -1.286535 0.374730
N 5.573681 0.806223 -0.897803
N 3.598483 1.991808 -1.368497
N 7.525425 -0.540404 -0.747958
C -7.372162 -1.714158 -0.338890
C -7.338944 -0.568220 0.680877
C -6.000541 -1.911146 -1.000255
C -6.784280 0.723527 0.059050
C -5.494181 -0.589045 -1.603229
C 4.149515 -1.227403 0.661862
C -4.316231 0.741093 0.216648
C -2.975504 0.293294 -0.370738
C 2.059708 0.204118 0.176768
C 3.954190 -1.196901 2.184830
C 3.467992 -2.447504 0.023438
C 4.249619 0.929707 -0.709485
C 1.232770 -0.219975 -0.873048
C 1.506620 0.785819 1.338651
C -0.689652 0.491952 0.386226
C 6.181375 -0.372583 -0.373047
C -0.154989 -0.078535 -0.774682
C 0.132358 0.930030 1.449696
H -7.687734 -2.651034 0.158598
H -8.136824 -1.507434 -1.112610
H -8.353313 -0.381977 1.080833
H -6.718905 -0.855705 1.553822
H -5.276808 -2.292990 -0.254663
H -6.064596 -2.683667 -1.789011
H -7.471343 1.117028 -0.720688
H -6.678791 1.516560 0.837304
H -4.504083 -0.723367 -2.080583
H -6.182526 -0.252722 -2.414870
H -2.753188 0.818661 -1.317680
H -2.915093 -0.802263 -0.494760
H 4.513696 -2.025271 2.644193
H 4.345378 -0.273274 2.625815
H 2.904238 -1.302155 2.471249
H 2.410473 -2.522032 0.290095
H 3.551530 -2.433002 -1.069177
H 3.968005 -3.367538 0.360136
H 1.673026 -0.656491 -1.771682
H 2.162705 1.117387 2.145480
H -0.784860 -0.409620 -1.592972
H -0.332023 1.371652 2.331929
H 4.213368 2.686748 -1.785341
H 2.773113 2.384520 -0.935763
H 8.072469 -1.176968 -0.183572
H 8.016957 0.290884 -1.047855


%chk=000285690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285690

0 1
O -1.970077 0.949318 0.769047
O -4.472109 1.699876 1.321102
N -5.460435 0.279044 -0.240350
N 3.567079 -0.029057 -0.032502
N 5.706471 -1.005199 0.766565
N 5.650206 0.707007 -0.994717
N 3.653231 1.716580 -1.643624
N 7.656929 0.034565 -0.015974
C -7.727878 -1.545601 -0.536589
C -7.708241 -0.447212 0.553560
C -6.287934 -1.981180 -0.897724
C -6.821207 0.741807 0.123356
C -5.426544 -0.756451 -1.296024
C 4.274050 -1.269695 0.562828
C -4.360244 0.824848 0.416314
C -2.982427 0.293342 -0.045038
C 2.152111 0.188646 0.140534
C 3.648555 -1.603788 1.930746
C 4.100704 -2.455276 -0.428887
C 4.316527 0.773209 -0.883790
C 1.204246 -0.456204 -0.691008
C 1.685879 1.071912 1.153646
C -0.629431 0.640413 0.498656
C 6.282829 -0.136456 -0.055439
C -0.182615 -0.241331 -0.518111
C 0.311444 1.298201 1.333013
H -8.317916 -2.417591 -0.198538
H -8.228907 -1.150923 -1.445150
H -8.733029 -0.080917 0.753399
H -7.316691 -0.864455 1.501460
H -5.821687 -2.483294 -0.027413
H -6.296708 -2.705573 -1.734693
H -7.271798 1.246781 -0.757335
H -6.709830 1.483770 0.930077
H -4.389742 -1.068100 -1.498920
H -5.828192 -0.320109 -2.235990
H -2.825823 0.526921 -1.119979
H -2.922679 -0.807669 0.088321
H 4.197619 -2.463317 2.349189
H 3.768552 -0.754412 2.624172
H 2.578810 -1.863746 1.850058
H 3.038558 -2.743254 -0.534959
H 4.508684 -2.185716 -1.419630
H 4.664458 -3.324931 -0.049013
H 1.555551 -1.127127 -1.482094
H 2.418056 1.574561 1.793741
H -0.888131 -0.758008 -1.175666
H -0.063119 1.974168 2.107246
H 4.229820 2.347940 -2.193304
H 2.639787 1.789564 -1.647532
H 8.206597 -0.526194 0.627932
H 8.074538 0.770311 -0.577072


