%chk=000296462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296462

0 1
O 4.273107 0.375975 -0.943447
O 6.374811 0.132655 1.716550
O 6.172152 2.791766 -1.171575
O 2.014746 -2.723512 0.722499
O -2.696528 -2.077648 0.715469
N 2.259851 -0.683009 -0.321207
N 0.059190 -1.515836 0.344734
N 0.324704 0.638229 -0.782667
N -1.822624 -0.099781 -0.153788
C 4.991489 0.245871 1.361539
C 4.928405 1.156929 0.109404
C 4.423038 -1.111469 0.917778
C 3.754046 -0.857430 -0.435595
C 6.296250 1.563751 -0.451848
C 1.430283 -1.756169 0.303428
C 1.640353 0.451233 -0.837244
C -0.454672 -0.385863 -0.174810
C -2.883254 -0.956574 0.334952
C -4.199251 -0.251928 0.263563
C -5.215413 -0.801014 -0.532477
C -4.439605 0.904699 1.016645
C -6.711197 0.982279 0.161590
C -6.463331 -0.182540 -0.586762
C -5.691099 1.518990 0.965350
C -8.054200 1.629481 0.105140
H 4.441728 0.680481 2.222524
H 4.277247 2.044355 0.263362
H 5.239880 -1.855074 0.805568
H 3.734164 -1.560058 1.661782
H 3.960808 -1.619511 -1.223057
H 6.720805 0.774648 -1.096996
H 7.012621 1.808455 0.362546
H 6.478291 -0.381757 2.543886
H 2.268739 1.230477 -1.316257
H 5.698619 2.642595 -2.017897
H -2.083721 0.812220 -0.564511
H -5.028761 -1.713573 -1.102652
H -3.654779 1.320235 1.650566
H -7.251617 -0.608131 -1.206314
H -5.876783 2.415314 1.555180
H -8.075213 2.617476 0.584395
H -8.397572 1.768843 -0.930439
H -8.810410 1.010919 0.613693


%chk=000296462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296462

0 1
O 4.363420 0.607192 -0.977447
O 5.859002 0.428252 2.336410
O 6.784348 2.018846 -1.432931
O 2.104276 -2.807456 -0.125850
O -2.755802 -2.198633 -0.167106
N 2.275628 -0.493621 -0.459767
N 0.107336 -1.548474 -0.190589
N 0.325283 0.866531 -0.608318
N -1.763050 -0.059675 -0.298694
C 4.722015 0.414625 1.415357
C 5.091910 1.261543 0.173785
C 4.402388 -0.981862 0.824072
C 3.773366 -0.656230 -0.543776
C 6.584537 1.284212 -0.182422
C 1.489780 -1.716682 -0.246197
C 1.647113 0.711062 -0.653151
C -0.397832 -0.322756 -0.358453
C -2.864358 -0.947740 -0.141058
C -4.188747 -0.251216 0.029877
C -5.358633 -1.015720 -0.221269
C -4.333845 1.096432 0.451568
C -6.788518 0.911035 0.332733
C -6.633836 -0.441615 -0.077587
C -5.617310 1.664706 0.599162
C -8.169153 1.517890 0.497855
H 3.822181 0.838458 1.907058
H 4.711361 2.296604 0.221865
H 5.348002 -1.529634 0.664053
H 3.740964 -1.601467 1.447070
H 3.962358 -1.430174 -1.303812
H 6.980131 0.250208 -0.251496
H 7.150249 1.827409 0.588963
H 5.609773 -0.033656 3.175258
H 2.287988 1.568461 -0.873335
H 6.208542 1.596634 -2.122544
H -1.968134 0.933294 -0.441568
H -5.236773 -2.060608 -0.525054
H -3.460797 1.708085 0.711289
H -7.525333 -1.045843 -0.284324
H -5.711072 2.704222 0.934075
H -8.117096 2.600717 0.701761
H -8.783119 1.370198 -0.409534
H -8.713246 1.043445 1.336672


