%chk=000289687.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289687

0 1
O -7.723533 -0.222192 -0.165632
N 6.411778 -0.262006 0.274013
N -2.168977 -0.195113 -0.047763
C 5.000277 -0.196828 0.083427
C 7.151137 1.029745 0.134742
C 7.111119 -1.400876 -0.395751
C 4.300922 1.017537 0.307911
C 4.260817 -1.374353 -0.209176
C 6.472966 2.083233 1.019754
C 6.394679 -2.705601 -0.025165
C 5.030417 2.310122 0.558917
C 4.948726 -2.674698 -0.527919
C 2.904328 1.034025 0.270950
C 2.866190 -1.331731 -0.230950
C 2.173049 -0.132716 0.004842
C 0.705263 -0.135492 -0.026606
C -0.041692 0.903772 -0.437174
C -1.512490 0.890433 -0.466847
C -2.205608 2.064392 -0.954036
C -3.558316 -0.191975 -0.081256
C -4.307725 0.926658 -0.547307
C -3.571850 2.076096 -0.991173
C -5.724212 0.867059 -0.556262
C -4.245015 -1.365437 0.374106
C -6.351598 -0.284758 -0.108435
C -5.616066 -1.415432 0.362497
C -8.497107 -1.380668 0.284223
C -9.930767 -0.934495 0.074175
H 7.193691 1.377212 -0.920342
H 8.197640 0.864166 0.471746
H 8.160084 -1.423394 -0.027861
H 7.149677 -1.278503 -1.499981
H 7.044497 3.028141 0.994742
H 6.478715 1.740132 2.075388
H 6.936305 -3.571415 -0.446156
H 6.404746 -2.834192 1.077291
H 5.017351 2.913536 -0.373367
H 4.490905 2.913658 1.317352
H 4.922370 -2.831014 -1.627320
H 4.386285 -3.524169 -0.089076
H 2.373536 1.966424 0.460595
H 2.303685 -2.240427 -0.444575
H 0.230157 -1.068340 0.305817
H 0.417966 1.830461 -0.785798
H -1.621558 2.920308 -1.284395
H -4.124009 2.943451 -1.352417
H -6.312037 1.710866 -0.908464
H -3.645941 -2.208125 0.726857
H -6.136156 -2.304082 0.707498
H -8.223342 -2.247590 -0.340885
H -8.259305 -1.569418 1.344921
H -10.640591 -1.714173 0.371520
H -10.154570 -0.027941 0.654394
H -10.119112 -0.683270 -0.979390


%chk=000289687-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289687

0 1
O -7.825911 -0.270112 -0.123837
N 6.441963 -0.316642 -0.038952
N -2.186855 -0.065947 -0.086069
C 5.041717 -0.208536 -0.068236
C 7.295200 0.874643 -0.204263
C 7.097514 -1.631202 -0.169988
C 4.408909 1.084197 -0.090048
C 4.217094 -1.383990 -0.060658
C 6.659675 2.108937 0.460904
C 6.277554 -2.732294 0.527084
C 5.257512 2.350119 -0.134091
C 4.853939 -2.769236 -0.064731
C 3.009500 1.172477 -0.084852
C 2.819773 -1.244975 -0.057281
C 2.168182 0.021629 -0.071231
C 0.709449 0.075055 -0.071167
C -0.093052 1.191584 -0.076438
C -1.558355 1.142122 -0.081251
C -2.306487 2.381750 -0.082484
C -3.568656 -0.093974 -0.093631
C -4.390015 1.105375 -0.096292
C -3.695910 2.364305 -0.089652
C -5.808690 0.994571 -0.106047
C -4.227394 -1.364654 -0.100480
C -6.420471 -0.267333 -0.113431
C -5.620962 -1.459027 -0.110355
C -8.520848 -1.572064 -0.136417
C -10.017117 -1.269949 -0.149639
H 7.476856 1.087439 -1.283449
H 8.278635 0.655343 0.253790
H 8.104170 -1.556797 0.284273
H 7.240977 -1.898563 -1.242644
H 7.310193 2.988381 0.300281
H 6.585260 1.935786 1.550881
H 6.783452 -3.706411 0.394089
H 6.231900 -2.518639 1.611412
H 5.367005 2.691507 -1.184820
H 4.742608 3.165994 0.406011
H 4.905180 -3.157156 -1.103642
H 4.217994 -3.475871 0.499852
H 2.557297 2.172205 -0.094424
H 2.202183 -2.153466 -0.043377
H 0.181720 -0.889458 -0.067642
H 0.348001 2.197530 -0.078405
H -1.757438 3.330046 -0.077673
H -4.270551 3.298006 -0.090701
H -6.439197 1.890340 -0.108497
H -3.598398 -2.260192 -0.098307
H -6.093206 -2.445829 -0.115873
H -8.219805 -2.145678 -1.037368
H -8.237461 -2.153857 0.765020
H -10.594943 -2.212115 -0.160175
H -10.304866 -0.691740 0.744883
H -10.287119 -0.682630 -1.043761


