%chk=000276136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276136

0 1
O 3.006542 1.618714 2.888521
O 0.383326 -0.081357 -2.385863
O 3.041926 -4.021598 0.084687
O -4.560133 -2.792235 0.483493
N 0.079257 2.291267 0.181031
C 1.076576 3.056865 1.006475
C 0.137770 2.686974 -1.264774
C 1.018655 4.585541 0.776667
C -0.017713 4.206396 -1.495671
C 1.058232 4.962382 -0.707063
C 2.492848 2.493425 0.747336
C -0.896655 1.909940 -2.109412
C -1.284040 2.393465 0.780454
C 2.793475 1.361549 1.717201
C -0.651616 0.417413 -1.994942
C 2.842188 -0.030259 1.212136
C -1.734744 -0.399663 -1.376921
C 3.435589 -1.017819 2.030384
C -1.399476 -1.264681 -0.315102
C 2.290193 -0.400745 -0.021117
C -3.052509 -0.335184 -1.839385
C 3.490830 -2.341083 1.620459
C -2.375165 -2.045222 0.287413
C 2.321264 -1.727252 -0.453731
C -4.051574 -1.120114 -1.257584
C 2.927411 -2.684061 0.370198
C -3.700179 -1.966147 -0.196127
C 2.505033 -4.494554 -1.176570
C -5.951869 -2.811708 0.080605
H 0.830463 2.869863 2.089992
H 1.164648 2.375698 -1.614679
H 0.091818 4.980995 1.235974
H 1.848553 5.077123 1.318374
H 0.065753 4.440933 -2.572000
H -1.024069 4.544049 -1.187423
H 2.059411 4.741891 -1.126387
H 0.915144 6.053496 -0.822765
H 2.612127 2.182953 -0.308148
H 3.249138 3.289544 0.907783
H -0.789796 2.208304 -3.172967
H -1.926064 2.186088 -1.817864
H -1.233652 2.128058 1.849665
H -1.941816 1.645542 0.306439
H -1.752609 3.383620 0.691710
H 3.850131 -0.719902 2.999259
H -0.361838 -1.309894 0.034445
H 1.810759 0.350565 -0.661392
H -3.309991 0.323900 -2.669658
H 3.948783 -3.113812 2.232420
H -2.144486 -2.713291 1.115259
H 1.878989 -1.978869 -1.415878
H -5.068097 -1.068532 -1.630359
H 2.737202 -5.566131 -1.131522
H 1.424801 -4.325891 -1.215790
H 3.021711 -4.013458 -2.012339
H -6.402863 -1.825917 0.224100
H -6.043783 -3.159766 -0.952086
H -6.375809 -3.543809 0.781339


%chk=000276136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276136

0 1
O 2.507264 1.553096 2.976429
O 0.270734 0.022937 -2.220256
O 3.503766 -4.175172 0.279552
O -4.796628 -3.163997 0.071305
N -0.057564 2.532059 0.206569
C 1.064684 3.202844 0.946173
C 0.005147 2.798532 -1.266701
C 1.162174 4.723885 0.616116
C 0.009539 4.313570 -1.611813
C 1.204105 5.000179 -0.905102
C 2.403129 2.434397 0.731028
C -1.082927 2.013685 -2.041093
C -1.373746 2.757583 0.844746
C 2.557211 1.280480 1.733906
C -0.863155 0.501732 -1.896205
C 2.805439 -0.116934 1.275388
C -1.942470 -0.393546 -1.385476
C 3.278145 -1.068608 2.229522
C -1.590433 -1.717769 -0.984403
C 2.551571 -0.557207 -0.049347
C -3.303785 -0.002740 -1.291377
C 3.507588 -2.401194 1.869143
C -2.555485 -2.608173 -0.502541
C 2.757402 -1.901934 -0.422329
C -4.292291 -0.892669 -0.822497
C 3.248168 -2.823903 0.536238
C -3.915189 -2.199846 -0.420328
C 3.253283 -4.670087 -1.078242
C -6.212152 -2.800028 0.202877
H 0.839832 3.110207 2.025561
H 0.969694 2.381844 -1.620318
H 0.274153 5.232281 1.044524
H 2.048503 5.156507 1.118497
H 0.082563 4.445672 -2.709533
H -0.942145 4.784317 -1.290155
H 2.151510 4.613563 -1.334552
H 1.192815 6.090488 -1.095192
H 2.521899 2.101313 -0.310940
H 3.239594 3.128556 0.947290
H -0.964701 2.265137 -3.113292
H -2.091728 2.335693 -1.736821
H -1.273515 2.557745 1.925754
H -2.119803 2.043367 0.454932
H -1.788086 3.788854 0.727302
H 3.453888 -0.725653 3.254346
H -0.538327 -2.012085 -1.050813
H 2.137803 0.120005 -0.801323
H -3.614439 0.998076 -1.609083
H 3.880886 -3.136396 2.588448
H -2.294057 -3.619032 -0.175910
H 2.527702 -2.207403 -1.447036
H -5.334531 -0.564526 -0.774084
H 3.520748 -5.736327 -1.048006
H 2.187395 -4.558527 -1.355622
H 3.885833 -4.144832 -1.819155
H -6.342670 -1.949980 0.899492
H -6.654455 -2.550745 -0.780643
H -6.699885 -3.695689 0.613351


