%chk=000267108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267108

0 1
O 1.483063 3.526445 0.803508
N 2.709356 -0.912736 1.312829
N -3.153441 0.919766 -1.246120
C -0.042596 1.566322 0.751384
C 1.028589 0.510690 0.710221
C -1.284329 1.062022 0.058259
C 0.475727 2.850792 0.029836
C -0.417839 1.942229 2.197768
C 1.476868 -0.188578 -0.471252
C -1.918744 -0.209816 0.309875
C 1.787542 0.047407 1.777703
C -2.055043 1.726727 -0.888402
C 2.534516 -1.076094 -0.068676
C -3.092903 -0.275725 -0.517783
C 1.087863 -0.166820 -1.825061
C -1.615177 -1.304534 1.144110
C 3.203091 -1.908838 -0.991877
C -3.951649 -1.396751 -0.510428
C 3.665512 -1.646999 2.145818
C -4.193935 1.280685 -2.212553
C 1.746634 -0.983607 -2.726168
C -2.459494 -2.399549 1.148830
C 2.797374 -1.845489 -2.311475
C -3.619147 -2.443137 0.328203
C 2.841261 3.168850 0.484377
H -0.316588 3.622371 -0.010981
H 0.837946 2.624176 -0.984260
H -1.276948 2.622017 2.216315
H -0.687754 1.061760 2.787589
H 0.417267 2.462134 2.686404
H 1.745960 0.334276 2.812820
H -1.911098 2.697283 -1.325761
H 0.267495 0.478046 -2.136275
H -0.717783 -1.273825 1.760546
H 3.997980 -2.570280 -0.668195
H -4.831998 -1.425228 -1.141343
H 4.695745 -1.514916 1.767053
H 3.638236 -1.291043 3.189462
H 3.435550 -2.728879 2.147348
H -3.998936 2.270979 -2.656855
H -4.238599 0.540644 -3.033173
H -5.186229 1.314504 -1.725297
H 1.460224 -0.982430 -3.774980
H -2.242049 -3.254218 1.784538
H 3.283110 -2.469406 -3.060074
H -4.250680 -3.329164 0.369040
H 3.417939 3.768566 1.197124
H 3.074714 3.454446 -0.544966
H 3.013799 2.099921 0.641596


%chk=000267108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267108

0 1
O 1.575715 3.445113 0.818411
N 2.801695 -0.875600 1.378266
N -3.223842 0.980001 -1.219126
C -0.070357 1.520118 0.816265
C 1.034719 0.466326 0.762170
C -1.330238 1.034749 0.093065
C 0.434752 2.837993 0.130421
C -0.435172 1.868853 2.289895
C 1.528443 -0.229983 -0.418998
C -2.005062 -0.241394 0.292748
C 1.834348 0.042237 1.824237
C -2.107743 1.741591 -0.828694
C 2.631881 -1.058715 -0.000175
C -3.182111 -0.242434 -0.538873
C 1.153716 -0.242069 -1.789743
C -1.734764 -1.388272 1.087121
C 3.353692 -1.877962 -0.897355
C -4.079877 -1.332936 -0.588792
C 3.796183 -1.556170 2.206072
C -4.262954 1.388047 -2.162931
C 1.871985 -1.052083 -2.690559
C -2.625142 -2.478028 1.043562
C 2.961621 -1.860922 -2.251104
C -3.786927 -2.451911 0.216094
C 2.877059 3.173569 0.201538
H -0.369487 3.596499 0.186632
H 0.677081 2.644434 -0.935936
H -1.259132 2.604039 2.306434
H -0.769073 0.971629 2.839814
H 0.434311 2.316150 2.803050
H 1.799799 0.334011 2.871943
H -1.964767 2.735802 -1.248027
H 0.301507 0.352314 -2.134944
H -0.836564 -1.428656 1.711110
H 4.185750 -2.506651 -0.561623
H -4.970213 -1.317065 -1.227063
H 4.818262 -1.378129 1.822874
H 3.741655 -1.168708 3.235968
H 3.617930 -2.648000 2.233343
H -4.032998 2.394141 -2.548730
H -4.318754 0.691385 -3.020548
H -5.255041 1.421637 -1.674259
H 1.585944 -1.071389 -3.748245
H -2.422867 -3.367554 1.650793
H 3.497809 -2.483491 -2.976376
H -4.459468 -3.317216 0.203491
H 3.610409 3.751523 0.787588
H 2.899350 3.518949 -0.853801
H 3.137341 2.099226 0.233595


