%chk=000236030.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236030

0 1
O -4.565673 2.464397 0.001260
O 4.564137 2.468241 0.002455
O -2.413166 2.330771 -0.001179
O 2.411744 2.332729 -0.001424
N -1.208839 0.027390 -0.003734
N 1.209445 0.028380 -0.002312
N -3.533922 1.814101 -0.000149
N 3.532957 1.817032 0.000717
C 0.000672 -0.833790 -0.004683
C -2.483596 -0.493950 -0.001952
C 2.484667 -0.491894 -0.000561
C -3.625412 0.366308 -0.000379
C 3.625689 0.369346 0.001191
C -2.704564 -1.907748 -0.001941
C 2.706782 -1.905511 -0.000262
C -4.928733 -0.198900 0.001069
C 4.929516 -0.194753 0.003486
C -3.986434 -2.418317 -0.000477
C 3.989078 -2.414972 0.001947
C -5.112958 -1.564736 0.001039
C 5.114888 -1.560410 0.003891
H 0.001382 -1.483015 -0.922855
H 0.000481 -1.486628 0.910929
H -1.076922 1.062135 -0.003420
H 1.076660 1.063021 -0.002913
H -1.860687 -2.590923 -0.003133
H 1.863467 -2.589348 -0.001783
H -5.787929 0.485922 0.002217
H 5.788089 0.490846 0.004919
H -4.141716 -3.500549 -0.000485
H 4.145315 -3.497070 0.002193
H -6.113931 -1.991022 0.002161
H 6.116214 -1.985884 0.005670


%chk=000236030-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236030

0 1
O -4.566774 2.537653 0.002872
O 4.564924 2.541555 -0.002846
O -2.297997 2.345695 0.002526
O 2.296319 2.347240 -0.006032
N -1.182525 -0.005006 -0.000135
N 1.183197 -0.004073 -0.000408
N -3.501037 1.810051 0.001412
N 3.499919 1.812878 -0.000791
C 0.000674 -0.858371 -0.000942
C -2.463919 -0.503637 -0.000900
C 2.464992 -0.501681 0.000331
C -3.624729 0.358243 -0.000108
C 3.625032 0.361200 0.000573
C -2.714265 -1.916973 -0.002472
C 2.716562 -1.914804 0.001127
C -4.940052 -0.175397 -0.000829
C 4.940828 -0.171263 0.001803
C -4.018506 -2.426533 -0.003191
C 4.021253 -2.423213 0.002333
C -5.146132 -1.559774 -0.002376
C 5.148120 -1.555462 0.002742
H 0.000803 -1.520199 -0.898653
H 0.001076 -1.521534 0.895768
H -1.121251 1.029831 0.001323
H 1.121092 1.030714 -0.000552
H -1.870428 -2.612315 -0.003068
H 1.873331 -2.610881 0.000885
H -5.774152 0.531197 -0.000168
H 5.774302 0.536070 0.001926
H -4.166838 -3.512029 -0.004378
H 4.170540 -3.508579 0.002987
H -6.160779 -1.967302 -0.002945
H 6.163124 -1.962101 0.003688


