%chk=000258329.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258329

0 1
O 4.396851 -1.408255 -0.650789
N -0.150682 0.250165 0.726164
N 2.711822 -0.012954 -0.062796
C 0.715571 1.415015 0.355909
C 0.569381 -1.055536 0.635059
C 2.197169 1.159172 0.690178
C 1.695931 -1.043862 -0.411083
C -1.504640 0.307319 0.276416
C 4.072674 -0.337200 -0.159087
C -2.297828 -0.860797 0.259795
C -2.107453 1.548472 -0.034820
C -3.660388 -0.791298 -0.050366
C 5.067693 0.687214 0.306250
C -3.466887 1.599482 -0.341742
C -4.250968 0.444971 -0.356206
C -4.478127 -2.043548 -0.053472
H 0.359527 2.292358 0.945535
H 0.615277 1.672837 -0.723898
H -0.134155 -1.892537 0.417208
H 0.984756 -1.257395 1.650814
H 2.789177 2.062283 0.420004
H 2.318224 0.994356 1.786209
H 2.187638 -2.045427 -0.476185
H 1.297138 -0.819794 -1.426204
H -1.854218 -1.825656 0.500105
H -1.538300 2.471026 -0.024627
H 4.981768 0.899045 1.378905
H 4.980161 1.633817 -0.242309
H 6.090395 0.310364 0.132332
H -3.923911 2.561632 -0.576343
H -5.306564 0.504844 -0.599596
H -4.494436 -2.507831 0.943159
H -5.522037 -1.868236 -0.343748
H -4.069561 -2.786743 -0.752470


%chk=000258329-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258329

0 1
O 4.700100 -1.361056 -0.336903
N -0.087605 0.194331 -0.108236
N 2.813880 -0.034679 -0.038236
C 0.774105 1.386107 -0.146843
C 0.581942 -1.121220 -0.183061
C 2.117239 1.124540 0.564184
C 1.979633 -0.984465 -0.809088
C -1.489319 0.296550 -0.074121
C 4.161115 -0.324821 0.166198
C -2.297340 -0.846221 0.209178
C -2.150329 1.540754 -0.321696
C -3.709719 -0.767830 0.248863
C 4.956742 0.668017 1.012921
C -3.555144 1.617615 -0.272239
C -4.342366 0.477321 0.008802
C -4.529265 -2.010420 0.562313
H 0.273644 2.213827 0.387468
H 0.964576 1.732563 -1.187311
H -0.015751 -1.801031 -0.820871
H 0.665883 -1.596154 0.819059
H 2.742781 2.031873 0.479553
H 1.923470 0.947387 1.643091
H 2.505475 -1.954001 -0.816524
H 1.888207 -0.648912 -1.861635
H -1.823926 -1.809196 0.430874
H -1.577859 2.435671 -0.584231
H 4.470627 0.878835 1.982581
H 5.087464 1.630622 0.483433
H 5.950063 0.232665 1.194435
H -4.042772 2.579527 -0.470316
H -5.435069 0.551626 0.038684
H -4.277188 -2.418086 1.559655
H -5.610503 -1.790413 0.553064
H -4.341792 -2.814023 -0.174742


