%chk=000231402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231402

0 1
O 4.589519 0.210121 -1.092489
O -4.587303 0.203342 1.092861
N 3.552452 1.027628 0.823269
N -3.552580 1.011776 -0.827976
N 4.169962 -1.274851 0.623555
N -4.162717 -1.291431 -0.613551
C 0.665849 2.274143 0.372365
C -0.669721 2.269774 -0.385064
C 1.854602 2.260762 -0.594804
C -1.858437 2.258989 0.582185
C 3.210775 2.296261 0.125282
C -3.214705 2.285852 -0.138093
C 4.133297 -0.000213 0.022565
C -4.130365 -0.012677 -0.020794
C 4.988363 -2.337471 -0.025613
C -4.979269 -2.351586 0.042131
C 4.409403 -3.708204 0.308266
C -4.401981 -3.723599 -0.289260
H 0.722920 3.164658 1.028512
H 0.712933 1.398040 1.047127
H -0.729418 3.155952 -1.046826
H -0.714205 1.389289 -1.054277
H 1.807197 1.369271 -1.253252
H 1.792575 3.129690 -1.280295
H -1.799010 3.132439 1.262138
H -1.808367 1.371846 1.246288
H 3.238220 3.105296 0.888408
H 4.019188 2.518131 -0.614966
H -4.023782 2.510016 0.600735
H -3.244563 3.089922 -0.906359
H 2.861906 0.749701 1.520955
H -2.861194 0.731474 -1.523891
H 4.021518 -1.382173 1.621400
H -4.015700 -1.404001 -1.611097
H 4.982880 -2.162108 -1.129884
H 6.049429 -2.266245 0.303269
H -4.969581 -2.172382 1.145736
H -6.041564 -2.281123 -0.282927
H 4.465188 -3.935909 1.378524
H 3.354470 -3.782341 0.011519
H 4.953992 -4.497897 -0.224039
H -4.462226 -3.955116 -1.358461
H -3.345866 -3.796977 0.003463
H -4.944584 -4.511269 0.248067


%chk=000231402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231402

0 1
O 4.615575 -0.034939 -1.276164
O -4.614562 -0.040210 1.277273
N 3.605602 1.021145 0.552250
N -3.605138 1.006756 -0.556722
N 4.516244 -1.138752 0.791173
N -4.511083 -1.156426 -0.783206
C 0.712246 2.197607 0.289909
C -0.715781 2.192467 -0.301521
C 1.816488 2.208505 -0.789164
C -1.820128 2.208540 0.777378
C 3.254889 2.224441 -0.218141
C -3.258491 2.216023 0.206109
C 4.264498 -0.052826 -0.053355
C -4.262382 -0.064834 0.054899
C 5.177714 -2.357417 0.302962
C -5.170368 -2.373552 -0.288259
C 4.242118 -3.585102 0.281129
C -4.233129 -3.599866 -0.261692
H 0.830260 3.084453 0.948972
H 0.833182 1.303599 0.936574
H -0.836981 3.073181 -0.968197
H -0.833479 1.292493 -0.940441
H 1.712910 1.324873 -1.448751
H 1.692527 3.104420 -1.432536
H -1.698803 3.109763 1.413795
H -1.714064 1.330307 1.443752
H 3.394920 3.111920 0.430530
H 3.978383 2.288183 -1.049119
H -3.982339 2.282511 1.036554
H -3.401395 3.098958 -0.448126
H 3.305002 0.957892 1.524965
H -3.303282 0.937973 -1.528675
H 4.207804 -1.113186 1.764049
H -4.202736 -1.135708 -1.756228
H 5.527095 -2.122855 -0.716973
H 6.071126 -2.570196 0.923604
H -5.518878 -2.134432 0.730916
H -6.064289 -2.590601 -0.906718
H 3.861406 -3.824967 1.292135
H 3.377281 -3.399230 -0.379427
H 4.783131 -4.473287 -0.094951
H -3.853230 -3.844004 -1.271987
H -3.367773 -3.409842 0.397008
H -4.772589 -4.486978 0.119119


