%chk=000296063.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296063

0 1
O -4.973763 -0.990635 0.590084
O -5.141035 0.947204 -0.502390
N 1.269144 -0.010058 -0.001729
C 2.039192 -1.101385 0.649200
C 2.074086 1.057343 -0.650280
C 2.269321 -2.272842 -0.320641
C 2.334284 2.222389 0.319659
C -0.117893 0.010210 -0.005138
C 3.056510 -3.401493 0.356369
C 3.156748 3.327057 -0.354999
C -0.828302 1.089476 -0.609564
C -0.863067 -1.046799 0.595603
C 3.288265 -4.571340 -0.596540
C 3.418134 4.490705 0.597822
C -2.211418 1.100240 -0.608348
C -2.246585 -1.016429 0.588506
C -2.942278 0.051961 -0.011090
C -4.398946 0.108531 -0.033808
H 3.011591 -0.695430 1.007523
H 1.498891 -1.451337 1.559705
H 1.548532 1.422262 -1.563562
H 3.035679 0.622572 -1.003870
H 2.805317 -1.922414 -1.223441
H 1.296466 -2.654796 -0.691020
H 1.371468 2.632986 0.685682
H 2.856108 1.857316 1.224923
H 2.513322 -3.756652 1.254733
H 4.030632 -3.020014 0.721210
H 2.627828 3.696940 -1.255975
H 4.120934 2.917205 -0.715372
H -0.288110 1.910632 -1.073254
H -0.349872 -1.883718 1.061445
H 3.859237 -4.267714 -1.481556
H 2.342567 -4.999564 -0.949792
H 3.847895 -5.376593 -0.106551
H 3.976087 4.171726 1.485695
H 2.483638 4.946641 0.946291
H 4.002939 5.278907 0.109483
H -2.757729 1.928110 -1.072521
H -2.818868 -1.827738 1.050270
H -5.964550 -0.946664 0.571539


%chk=000296063-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296063

0 1
O -5.085382 -1.049393 0.530640
O -5.182671 1.060701 -0.437768
N 1.263551 -0.012195 -0.005241
C 2.028821 -1.111686 0.618030
C 2.054842 1.069173 -0.628047
C 2.279537 -2.318383 -0.320851
C 2.338214 2.266278 0.313816
C -0.130255 0.006119 -0.001736
C 3.089089 -3.437860 0.372284
C 3.180148 3.364408 -0.374703
C -0.865144 1.132671 -0.508793
C -0.892125 -1.100010 0.509053
C 3.360984 -4.639720 -0.557851
C 3.483746 4.555201 0.559928
C -2.264602 1.142472 -0.504401
C -2.292574 -1.074486 0.515259
C -3.007763 0.044057 0.008075
C -4.476717 0.109823 -0.006603
H 3.004094 -0.701357 0.944777
H 1.515380 -1.449569 1.538258
H 1.547985 1.422384 -1.546049
H 3.018562 0.635066 -0.958276
H 2.822465 -1.970163 -1.222777
H 1.310254 -2.719907 -0.674979
H 1.380065 2.694058 0.667502
H 2.869591 1.900531 1.215714
H 2.540977 -3.783463 1.272787
H 4.053018 -3.024763 0.734904
H 2.643921 3.728094 -1.275183
H 4.133026 2.925685 -0.736551
H -0.337125 2.009024 -0.893708
H -0.384427 -1.990126 0.889759
H 3.931741 -4.327461 -1.452436
H 2.414489 -5.093447 -0.906394
H 3.942899 -5.425541 -0.042661
H 4.043117 4.223777 1.454830
H 2.549719 5.034626 0.907592
H 4.089079 5.325718 0.048648
H -2.814003 2.007786 -0.890857
H -2.853705 -1.928065 0.906854
H -6.070422 -0.923260 0.481457


