%chk=000206143.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206143

0 1
O 1.733684 1.998864 0.383836
O -0.985081 2.105802 2.659643
O 2.321295 0.616234 -3.291557
O 0.694603 1.656849 -2.173851
N -4.076983 0.067028 -0.250495
N -0.964423 2.106239 0.361319
C -2.605158 0.295086 -0.105201
C -4.726370 -0.169340 1.081487
C -4.385251 -0.997340 -1.248404
C -2.405194 1.793010 0.219984
C -6.231902 0.080104 0.982477
C -3.855434 -2.399173 -0.932189
C -0.376191 2.194036 1.603793
C 1.131491 2.484489 1.606971
C 2.150766 0.691633 0.322849
C 2.212948 0.167406 -0.988219
C 2.570828 -0.060563 1.431810
C 2.793121 -1.102011 -1.173626
C 3.110078 -1.326153 1.218005
C 3.234669 -1.843420 -0.081646
C 1.647147 0.906289 -2.124328
H -2.086953 0.049997 -1.057168
H -2.134261 -0.334844 0.678732
H -4.532859 -1.189295 1.478597
H -4.285606 0.544311 1.815401
H -3.986881 -0.654584 -2.229821
H -5.492601 -1.031609 -1.361702
H -2.832820 2.424185 -0.591131
H -2.943669 2.063231 1.159958
H -6.438948 1.038346 0.486809
H -6.740439 -0.698877 0.404540
H -6.688512 0.112632 1.977077
H -2.762681 -2.419946 -0.869995
H -4.244663 -2.772013 0.022273
H -4.152953 -3.114043 -1.706777
H -0.397646 2.124718 -0.502396
H 1.615794 2.069900 2.507833
H 1.328930 3.574540 1.544775
H 2.483285 0.344582 2.438824
H 2.882532 -1.497110 -2.190538
H 3.445729 -1.921097 2.070469
H 3.675625 -2.827343 -0.232544
H 1.940751 1.100648 -4.074975


%chk=000206143-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206143

0 1
O 1.491893 1.037440 0.544290
O -1.363427 1.393576 2.723110
O 2.659194 0.233938 -3.409969
O 0.856399 0.657510 -2.032182
N -4.641969 0.080753 -0.244464
N -1.062681 1.196635 0.400677
C -3.186841 -0.074327 -0.019325
C -5.399544 0.314547 1.012031
C -5.232596 -0.918873 -1.167424
C -2.489976 1.310609 0.067641
C -6.797936 0.915455 0.775908
C -5.293844 -2.384597 -0.652275
C -0.626504 1.239620 1.697163
C 0.894178 1.081328 1.884235
C 2.765788 0.557337 0.310101
C 3.099592 0.287460 -1.057428
C 3.724623 0.362832 1.334749
C 4.417613 -0.151118 -1.358964
C 5.019297 -0.085479 1.004360
C 5.373139 -0.339018 -0.342811
C 2.089469 0.423910 -2.135487
H -2.749910 -0.639631 -0.864432
H -2.952230 -0.644218 0.910502
H -5.492949 -0.618456 1.622990
H -4.809592 1.019572 1.626232
H -4.645084 -0.889187 -2.105379
H -6.252869 -0.584594 -1.433134
H -2.599763 1.833468 -0.897953
H -2.975167 1.918415 0.850516
H -6.719224 1.836618 0.171767
H -7.470027 0.213820 0.248860
H -7.272028 1.166692 1.742635
H -4.285960 -2.764111 -0.401871
H -5.926191 -2.473901 0.249753
H -5.721908 -3.044743 -1.429980
H -0.366119 1.057849 -0.348475
H 1.095337 0.145458 2.440853
H 1.279524 1.942327 2.461481
H 3.466149 0.576607 2.376262
H 4.667656 -0.348538 -2.404337
H 5.756571 -0.230192 1.801712
H 6.381585 -0.681319 -0.593579
H 1.936131 0.319926 -4.087463


