%chk=000259033.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259033

0 1
O -0.316244 0.552258 -2.583737
N 2.863813 -0.535678 -1.389499
N -5.583800 0.452537 0.633960
C 3.569212 -0.049688 -0.145952
C 0.484089 -1.183120 -1.035567
C 1.943883 -1.696310 -1.128338
C 0.556655 0.303686 -1.470523
C 1.989341 0.512819 -2.007023
C 4.485440 1.138751 -0.519238
C 4.432073 -1.198951 0.425212
C 5.281218 1.618397 0.700226
C 5.227530 -0.727997 1.648379
C -0.122097 -1.358559 0.363756
C 6.111815 0.479500 1.307710
C -1.543265 -0.868799 0.413857
C -1.871003 0.317444 1.085381
C -2.567384 -1.590746 -0.217854
C -3.183879 0.782395 1.119506
C -3.883457 -1.137824 -0.193399
C -4.217955 0.059363 0.481941
C -5.821560 1.893635 0.928923
C -6.528994 -0.048152 -0.403445
H 2.840269 0.282596 0.635836
H -0.143296 -1.733865 -1.776382
H 2.247611 -2.274041 -0.234331
H 2.053777 -2.378678 -1.999126
H 0.289336 1.007605 -0.658658
H 1.999623 0.353281 -3.110593
H 2.361114 1.538970 -1.831455
H 3.885969 1.972830 -0.932973
H 5.174268 0.830100 -1.330514
H 5.119979 -1.566792 -0.361726
H 3.793560 -2.061488 0.697624
H 4.592567 2.028855 1.463190
H 5.945174 2.453190 0.407021
H 5.853413 -1.557321 2.027962
H 4.535388 -0.465607 2.471143
H 0.501891 -0.837240 1.117432
H -0.086794 -2.429838 0.652822
H 6.635674 0.833802 2.214220
H 6.901818 0.173440 0.594820
H -1.249305 0.441863 -2.307206
H -1.092902 0.888185 1.591659
H -2.332915 -2.520677 -0.735806
H -3.404864 1.701281 1.658081
H -4.654833 -1.726667 -0.685101
H -5.291009 2.171296 1.856859
H -6.895535 2.056479 1.116446
H -5.500335 2.572887 0.124302
H -6.498304 -1.151881 -0.427262
H -6.321800 0.330491 -1.416184
H -7.558068 0.234883 -0.127676


%chk=000259033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259033

0 1
O -0.373043 0.697571 -2.252346
N 2.912564 -0.713464 -1.332812
N -5.562852 0.757792 0.268098
C 3.634271 -0.183346 -0.126158
C 0.523339 -1.313982 -0.984484
C 1.997954 -1.865317 -1.012313
C 0.673556 0.190138 -1.362845
C 2.036392 0.223519 -2.090156
C 4.225772 1.229213 -0.349944
C 4.779535 -1.166678 0.237866
C 5.044241 1.707458 0.875405
C 5.582641 -0.702006 1.474451
C -0.218070 -1.547675 0.361055
C 6.165354 0.712455 1.253022
C -1.623219 -0.957875 0.369641
C -1.921424 0.256954 1.038364
C -2.688314 -1.581450 -0.333337
C -3.209301 0.830443 1.012682
C -3.982477 -1.029154 -0.373584
C -4.278807 0.199500 0.301395
C -5.831331 2.018198 0.968439
C -6.639145 0.081581 -0.463907
H 2.947605 -0.116765 0.760517
H -0.063391 -1.786737 -1.797396
H 2.280404 -2.319898 -0.045645
H 2.099434 -2.645530 -1.790565
H 0.718936 0.810119 -0.439109
H 1.884330 -0.170990 -3.114636
H 2.471260 1.227947 -2.181461
H 3.423074 1.965561 -0.543919
H 4.872450 1.201719 -1.250805
H 5.445006 -1.239675 -0.645151
H 4.370717 -2.180820 0.410616
H 4.362405 1.829424 1.743051
H 5.470879 2.707434 0.664508
H 6.392574 -1.425551 1.690020
H 4.920109 -0.688910 2.365407
H 0.382203 -1.103417 1.180081
H -0.264009 -2.638204 0.555931
H 6.696885 1.060806 2.160023
H 6.912899 0.674373 0.434005
H -1.240319 0.632157 -1.774930
H -1.128908 0.766131 1.601832
H -2.502157 -2.525690 -0.861708
H -3.379986 1.766186 1.552399
H -4.763916 -1.556112 -0.928507
H -5.658595 1.930714 2.061408
H -6.883342 2.306500 0.815122
H -5.194887 2.844556 0.589778
H -6.835832 -0.935365 -0.065613
H -6.407904 -0.016062 -1.544921
H -7.568654 0.665121 -0.370161


