%chk=000267021.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267021

0 1
O -5.265575 1.954297 0.265457
O 4.850655 2.201698 -1.266184
O -4.081708 4.003105 0.451024
O 4.008673 4.310080 -0.573015
O -2.681534 -4.304445 -0.627572
O 1.935154 -3.823937 -0.372585
N -0.978852 -2.835682 -1.226120
N 1.068113 -2.530537 1.343196
N -1.700392 -1.724445 -0.882057
N 1.668233 -1.397994 0.859249
C -0.044326 -5.867816 0.036237
C -0.545846 -5.238190 -1.270676
C 0.329379 -4.852650 1.126975
C -3.921956 1.752511 -0.028129
C 3.790406 2.022003 -0.387485
C -3.211582 2.985173 0.083693
C 3.284781 3.291197 0.028295
C -1.548722 -4.129140 -1.002445
C 1.209181 -3.740055 0.590042
C -1.904439 0.654625 -0.625991
C 2.163406 0.944111 0.962442
C -3.303068 0.576301 -0.378538
C 3.255540 0.836630 0.057623
C -1.857849 3.070198 -0.153688
C 2.226785 3.403152 0.902610
C -1.212331 1.867298 -0.515167
C 1.671041 2.190611 1.367452
C -5.404791 3.380787 0.566256
C 5.019850 3.650509 -1.406859
C -1.142112 -0.549580 -1.009925
C 1.521682 -0.271487 1.503409
H -0.822858 -6.547861 0.442805
H 0.838019 -6.500818 -0.198405
H 0.325653 -4.895432 -1.871803
H -1.043501 -6.013680 -1.892847
H 0.865539 -5.375089 1.948840
H -0.604050 -4.456155 1.583949
H -3.841198 -0.369643 -0.463722
H 3.635866 -0.135596 -0.259684
H -1.312381 4.005781 -0.074851
H 1.838903 4.366030 1.223081
H -0.138407 1.901678 -0.709429
H 0.828887 2.246170 2.058697
H -5.730839 3.475396 1.610082
H -6.053854 3.826068 -0.199177
H 6.008426 3.915466 -1.009361
H 4.817076 3.914206 -2.453189
H -0.008171 -2.755251 -1.575930
H 0.455951 -2.498961 2.167727
H -0.120264 -0.359243 -1.378868
H 0.945608 -0.123498 2.429563


%chk=000267021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267021

0 1
O -5.229235 1.997922 0.670567
O 4.844065 2.419761 -1.390027
O -4.035747 4.059912 0.388454
O 4.263847 4.469214 -0.285349
O -2.831885 -4.541708 -0.457468
O 2.013745 -3.903428 -0.464283
N -1.228768 -3.008225 -1.245410
N 1.071218 -2.477784 1.142304
N -1.954994 -1.882898 -0.893730
N 1.779445 -1.366045 0.715333
C -0.032824 -5.923513 0.092031
C -0.652784 -5.384998 -1.233422
C 0.356339 -4.826628 1.115366
C -3.945759 1.750542 0.118452
C 3.847091 2.184417 -0.410357
C -3.244204 2.971054 -0.044589
C 3.506158 3.398216 0.237576
C -1.701204 -4.304762 -0.957899
C 1.234688 -3.724395 0.511458
C -2.049654 0.534470 -0.724826
C 2.225660 1.006679 0.920222
C -3.386469 0.520873 -0.204976
C 3.233052 0.977562 -0.100716
C -1.939998 3.009129 -0.542518
C 2.524459 3.452506 1.229815
C -1.350997 1.763937 -0.884595
C 1.887442 2.229293 1.564500
C -5.373231 3.474769 0.689544
C 5.241101 3.840159 -1.219657
C -1.373570 -0.714656 -1.087231
C 1.526172 -0.219352 1.314395
H -0.756649 -6.598083 0.584050
H 0.860898 -6.517484 -0.169117
H 0.157204 -5.005800 -1.881309
H -1.151936 -6.218460 -1.757425
H 0.915706 -5.299998 1.947176
H -0.559657 -4.387256 1.557337
H -3.917139 -0.426132 -0.081835
H 3.490279 0.036012 -0.591405
H -1.401191 3.951973 -0.661953
H 2.263413 4.391643 1.723042
H -0.328079 1.751199 -1.277917
H 1.110793 2.230224 2.337626
H -5.683423 3.794032 1.696531
H -6.082603 3.782145 -0.101054
H 6.247548 3.884860 -0.764819
H 5.182721 4.350725 -2.193338
H -0.278163 -2.913064 -1.638263
H 0.367758 -2.394123 1.892822
H -0.354500 -0.621650 -1.514153
H 0.776061 -0.124885 2.126042


