%chk=000271427.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271427

0 1
O 3.145687 1.538218 -0.000098
O -5.380525 0.145016 0.000046
O -4.756042 -2.021750 -0.001201
N 0.832893 1.305378 -0.000821
N 2.382646 -0.665728 -0.000382
C -0.463252 0.715612 -0.000737
C 4.262915 0.689161 0.000153
C 3.804383 -0.667938 -0.000011
C 2.034644 0.618445 -0.000429
C -3.069695 -0.283662 -0.000768
C -0.672002 -0.674745 -0.000717
C -1.557694 1.612199 -0.000766
C -1.974799 -1.165719 -0.000739
C -2.852449 1.104469 -0.000783
C 5.601558 1.048515 0.000504
C 4.734178 -1.708123 0.000193
C 6.511796 -0.015045 0.000702
C 6.087419 -1.356633 0.000550
C -4.430929 -0.853731 -0.000814
C -6.786567 -0.289035 0.000259
C -7.565195 1.008453 0.001165
H 0.902585 2.329001 -0.000767
H 0.169044 -1.377084 -0.000699
H -1.401027 2.688259 -0.000783
H -2.155467 -2.246735 -0.000754
H -3.712121 1.782721 -0.000809
H 5.919543 2.086683 0.000619
H 4.407684 -2.746517 0.000077
H 7.580186 0.202719 0.000984
H 6.839565 -2.146350 0.000716
H -6.946674 -0.902021 -0.903421
H -6.946110 -0.902945 0.903411
H -8.645870 0.821661 0.001425
H -7.327066 1.618830 0.883099
H -7.327643 1.619720 -0.880305


%chk=000271427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271427

0 1
O 3.216747 1.584740 0.000082
O -5.423806 0.187817 0.000567
O -4.701196 -2.030517 0.000496
N 0.885287 1.347372 0.000587
N 2.390312 -0.601688 0.000002
C -0.412439 0.783062 0.000826
C 4.327088 0.693139 -0.000281
C 3.814748 -0.635550 -0.000325
C 2.090234 0.690224 0.000231
C -3.062437 -0.222436 0.001347
C -0.633674 -0.622038 0.000725
C -1.519173 1.677642 0.001177
C -1.952362 -1.106564 0.000971
C -2.830714 1.178764 0.001414
C 5.686918 1.009602 -0.000556
C 4.706652 -1.725523 -0.000663
C 6.574482 -0.097224 -0.000895
C 6.091884 -1.434227 -0.000946
C -4.430134 -0.801441 0.001649
C -6.831292 -0.309256 -0.000651
C -7.732902 0.921528 -0.001737
H 0.954573 2.367151 0.000673
H 0.222890 -1.300015 0.000459
H -1.347247 2.761365 0.001257
H -2.146271 -2.184203 0.000913
H -3.684696 1.861149 0.001691
H 6.047375 2.041394 -0.000514
H 4.335136 -2.753842 -0.000703
H 7.653980 0.085738 -0.001121
H 6.811874 -2.259436 -0.001213
H -6.976590 -0.942616 -0.894574
H -6.978244 -0.942252 0.893258
H -8.792786 0.607656 -0.002651
H -7.555137 1.541074 0.893789
H -7.553482 1.540708 -0.897185


