%chk=000259940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259940

0 1
O -5.741348 -1.307115 -0.000014
O -4.229241 -2.851830 -0.066649
N -4.580200 -1.683237 -0.026018
N 4.503174 -1.513105 1.201424
C -1.199707 -0.082297 -0.015503
C -1.566554 1.307041 0.022168
C -0.330218 2.103021 0.026413
C 0.283338 -0.198282 -0.029790
C 0.785498 1.200527 -0.008314
C -2.171623 -1.063283 -0.030594
C -2.897930 1.695090 0.045506
C -0.139805 3.474517 0.053482
C 2.077789 1.698083 -0.021993
C 0.962966 -1.352568 -0.056885
C -3.523682 -0.649637 -0.008065
C -3.888854 0.700569 0.030192
C 1.179355 3.966850 0.044144
C 2.264909 3.094543 0.006133
C 2.425552 -1.483118 -0.054516
C 3.125615 -1.758827 -1.238409
C 3.156510 -1.370477 1.149114
C 4.513607 -1.907177 -1.190901
C 5.167088 -1.778110 0.045744
H -1.929451 -2.129828 -0.058835
H -3.177464 2.747250 0.075218
H -0.983570 4.160796 0.081272
H 2.941916 1.035407 -0.053781
H 0.434165 -2.313580 -0.081216
H -4.950090 0.975808 0.047893
H 1.346753 5.043379 0.066834
H 3.280516 3.491997 -0.000989
H 2.590694 -1.852723 -2.183766
H 2.652028 -1.158940 2.099963
H 5.080188 -2.121184 -2.094629
H 6.254479 -1.888160 0.131565


%chk=000259940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259940

0 1
O -5.704004 -1.449588 -0.113731
O -4.027227 -2.973972 -0.378917
N -4.453063 -1.765066 -0.199190
N 4.667165 -1.153313 0.889892
C -1.143246 0.017146 -0.074297
C -1.578163 1.369334 0.123307
C -0.385869 2.225424 0.183136
C 0.347462 -0.020582 -0.109478
C 0.783240 1.398832 0.039694
C -2.079727 -1.023475 -0.174677
C -2.951783 1.681711 0.216280
C -0.283228 3.625384 0.313768
C 2.056207 2.010565 -0.012205
C 1.048751 -1.190423 -0.303067
C -3.450376 -0.683743 -0.086171
C -3.900704 0.645857 0.108436
C 0.998563 4.219280 0.283737
C 2.154755 3.416593 0.109541
C 2.491208 -1.466310 -0.223585
C 3.084366 -2.434191 -1.084265
C 3.337421 -0.887714 0.770534
C 4.459304 -2.721831 -0.972201
C 5.217492 -2.045963 0.012347
H -1.805284 -2.072427 -0.314571
H -3.286119 2.712471 0.369598
H -1.178118 4.246963 0.425719
H 2.965399 1.422267 -0.154743
H 0.442387 -2.077873 -0.539801
H -4.974941 0.836343 0.171511
H 1.101585 5.305014 0.384787
H 3.141214 3.890846 0.070139
H 2.470977 -2.938537 -1.839871
H 2.918718 -0.212059 1.524202
H 4.938952 -3.452162 -1.630943
H 6.293087 -2.223403 0.121280


