%chk=000182813.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182813

0 1
O -4.471187 2.361347 0.584801
N -8.249260 -0.735113 1.208392
N -4.805389 0.190148 -0.040106
N 1.638491 0.634173 -0.449204
N 4.008765 -2.903693 -0.542668
C -6.286529 0.263676 0.080831
C -6.939475 0.048653 -1.298995
C -6.757397 -0.813595 1.090703
C -8.462963 0.036681 -1.137374
C -8.907308 -1.017730 -0.110407
C -8.734286 -1.690781 2.248414
C -3.993986 1.294107 0.237215
C -2.526899 1.062763 0.058090
C -1.786004 2.022557 -0.650363
C -1.877896 -0.042767 0.621672
C 0.230992 0.731061 -0.281073
C 3.836810 -0.442416 -0.217016
C 2.397788 -0.554673 -0.460429
C -0.415698 1.862277 -0.830166
C -0.504435 -0.215360 0.458795
C 4.604242 -1.658022 -0.277142
C 5.880367 0.792214 0.298388
C 6.641339 -0.420052 0.222690
C 4.494709 0.757219 0.078894
C 5.991705 -1.627671 -0.061498
C 1.852206 -1.789834 -0.730377
C 6.566864 2.027007 0.602745
C 8.068404 -0.360406 0.448058
C 2.705463 -2.944419 -0.751172
C 7.913296 2.041102 0.809934
C 8.677907 0.824604 0.730110
H -6.563591 1.283231 0.474709
H -6.595134 -0.895889 -1.757712
H -6.633612 0.856063 -1.991221
H -6.392886 -1.818035 0.792738
H -6.322700 -0.592012 2.090424
H -8.811593 1.038235 -0.809415
H -8.950668 -0.158999 -2.109569
H -10.006803 -0.948782 0.039518
H -8.695355 -2.038280 -0.493373
H -4.413087 -0.669577 -0.405834
H -9.823790 -1.569126 2.363294
H -8.282125 -1.424684 3.217988
H -8.522459 -2.750225 2.045226
H -2.294660 2.901386 -1.057518
H -2.442476 -0.768544 1.210145
H 0.145561 2.604861 -1.392800
H -0.003864 -1.061668 0.928783
H 2.140005 1.509606 -0.611342
H 3.931914 1.688773 0.151592
H 6.553190 -2.563477 -0.117401
H 0.798854 -1.922279 -0.959930
H 5.977324 2.940832 0.662019
H 8.634144 -1.289664 0.385229
H 2.259806 -3.927147 -0.959302
H 8.441379 2.965419 1.039954
H 9.752390 0.881421 0.901957


%chk=000182813-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182813

0 1
O -4.513817 2.428668 -0.099777
N -8.293759 -0.494164 1.362937
N -4.870532 0.124850 -0.124980
N 1.673104 0.560257 -0.523761
N 4.268599 -2.818044 -1.123869
C -6.337243 0.210546 -0.014354
C -7.036012 -0.332324 -1.284113
C -6.822790 -0.559060 1.238919
C -8.570279 -0.314032 -1.100504
C -8.976381 -1.069389 0.180209
C -8.774645 -1.068019 2.633994
C -4.048082 1.243950 -0.143924
C -2.568103 0.985560 -0.235249
C -1.739039 2.055887 -0.659896
C -1.949498 -0.243023 0.115551
C 0.264369 0.649761 -0.444558
C 3.901384 -0.460048 -0.328042
C 2.486882 -0.572571 -0.676038
C -0.350105 1.892421 -0.773409
C -0.555833 -0.416024 0.019012
C 4.754756 -1.615388 -0.599966
C 5.862439 0.767444 0.552586
C 6.717963 -0.373011 0.246443
C 4.475501 0.690664 0.260164
C 6.136792 -1.536360 -0.313849
C 2.029894 -1.794377 -1.192191
C 6.452670 1.936828 1.150903
C 8.125783 -0.284596 0.541277
C 2.952785 -2.870511 -1.386149
C 7.816949 1.986636 1.423112
C 8.662724 0.864715 1.113216
H -6.576907 1.280806 0.110364
H -6.700245 -1.376355 -1.467189
H -6.733895 0.269055 -2.160768
H -6.460942 -1.624681 1.172206
H -6.366484 -0.109539 2.139509
H -8.922311 0.731873 -1.022386
H -9.066664 -0.772515 -1.976741
H -10.068210 -0.992849 0.338234
H -8.732231 -2.160415 0.059331
H -4.462112 -0.797867 -0.284056
H -9.866163 -0.920140 2.719054
H -8.293158 -0.549918 3.482451
H -8.565814 -2.164091 2.733944
H -2.217758 3.011452 -0.896509
H -2.542089 -1.071461 0.522629
H 0.270665 2.726113 -1.124994
H -0.103014 -1.354068 0.350095
H 2.161385 1.457680 -0.532839
H 3.852553 1.548838 0.544584
H 6.746367 -2.418402 -0.536325
H 0.992966 -1.925135 -1.508081
H 5.809175 2.792800 1.387802
H 8.766607 -1.142704 0.307735
H 2.581626 -3.815739 -1.801762
H 8.256448 2.881975 1.876034
H 9.734130 0.922535 1.333884


