%chk=000219819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219819

0 1
O 4.809928 1.113158 0.023421
O -4.921481 -1.462921 -0.224214
N 3.610428 -0.858818 0.013745
N -2.750501 0.228467 0.023046
N -4.036520 0.707076 0.054330
N -6.376514 0.303146 -0.000812
C 2.279041 -0.337306 -0.008199
C -0.379680 0.563239 -0.052604
C 2.006904 1.042449 -0.019458
C 1.218049 -1.268702 -0.019131
C 0.685660 1.481778 -0.041811
C -0.097893 -0.815345 -0.040937
C -1.761152 1.075314 -0.079226
C 4.805335 -0.100214 0.028255
C 6.051216 -0.941946 0.049964
C -5.079239 -0.275178 -0.059905
H 2.827178 1.769247 -0.010657
H 1.413927 -2.338278 -0.010793
H 0.485227 2.553539 -0.049764
H -0.922043 -1.536524 -0.048853
H 3.682286 -1.878491 0.019224
H -1.853994 2.166771 -0.182313
H 6.116121 -1.577945 0.942658
H 6.940538 -0.287876 0.060471
H 6.142320 -1.584922 -0.835427
H -4.244981 1.695119 -0.132185
H -6.540121 1.154141 0.513753
H -7.139439 -0.363079 0.075222


%chk=000219819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219819

0 1
O 4.921810 1.192512 0.008379
O -5.088644 -1.533246 -0.011557
N 3.663719 -0.792065 -0.002237
N -2.793394 0.104434 -0.001843
N -4.075396 0.607882 -0.000242
N -6.405451 0.393498 -0.002986
C 2.327800 -0.304523 -0.000697
C -0.403568 0.514119 0.001504
C 2.003614 1.078447 0.005682
C 1.278435 -1.270060 -0.005959
C 0.650243 1.467122 0.006695
C -0.064233 -0.870337 -0.004893
C -1.796909 0.967049 0.002886
C 4.863738 -0.071307 0.002124
C 6.110095 -0.958089 -0.001232
C -5.181229 -0.280909 -0.005410
H 2.807634 1.815698 0.009667
H 1.524416 -2.340374 -0.010934
H 0.408764 2.537710 0.011650
H -0.872011 -1.608742 -0.008904
H 3.754183 -1.811391 -0.007146
H -1.962061 2.065371 0.008147
H 6.143063 -1.609498 0.891910
H 6.998909 -0.311371 0.001067
H 6.142999 -1.603171 -0.898954
H -4.237088 1.626933 0.004681
H -6.508066 1.406209 0.002478
H -7.240770 -0.186001 -0.006077


