%chk=000208903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208903

0 1
O -1.265936 -1.970460 -1.508757
O 5.097400 0.250264 0.192807
O 7.892325 0.087364 -1.189686
N 1.447347 0.082693 0.348709
C -1.493116 -0.091081 -0.006763
C -0.795586 -0.120315 1.370701
C -0.569206 0.658806 -0.997253
C 0.610505 -0.735318 1.285944
C 0.852770 0.078676 -1.028551
C -2.838252 0.622794 0.011505
C -1.734372 -1.551627 -0.475262
C 2.860740 -0.410714 0.321739
C -2.584001 -2.414618 0.437688
C -3.718773 0.442386 -1.071011
C -3.212700 1.479333 1.055080
C 3.763657 0.812984 0.097582
C -3.253012 -3.552171 -0.323621
C -4.952978 1.093328 -1.096123
C -4.450527 2.130778 1.027239
C -5.324990 1.938174 -0.044536
C 6.151624 1.234262 0.078166
C 7.434079 0.399839 0.130865
H -0.700852 0.922695 1.746108
H -1.402710 -0.661100 2.117527
H -0.530985 1.728599 -0.710281
H -0.996649 0.615866 -2.018335
H 1.086248 -0.699573 2.290961
H 0.550670 -1.805540 0.992316
H 0.828033 -0.937407 -1.487608
H 1.492880 0.712577 -1.679213
H 3.059801 -1.178276 -0.456377
H 3.137914 -0.883571 1.289439
H -1.932947 -2.824910 1.238426
H -3.349858 -1.802057 0.956895
H -3.438633 -0.205427 -1.902963
H -2.540582 1.656524 1.894174
H 3.631222 1.265334 -0.898375
H 3.625368 1.578177 0.879933
H -4.026372 -3.178981 -1.006165
H -2.523512 -4.099464 -0.939429
H -3.724784 -4.267839 0.357752
H -5.627044 0.944441 -1.938708
H -4.729669 2.793137 1.845465
H -6.287834 2.444404 -0.064564
H 6.055387 1.775021 -0.880125
H 6.076349 1.943648 0.919588
H 8.281342 0.965516 0.560997
H 7.272948 -0.537863 0.697651
H 7.227170 -0.470008 -1.648856


%chk=000208903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208903

0 1
O -1.569418 -1.803694 -1.747964
O 5.183621 0.274210 0.234874
O 7.534459 -0.619740 -1.030036
N 1.451260 0.079175 0.447778
C -1.503176 -0.059354 -0.009263
C -0.837632 -0.121125 1.394713
C -0.522825 0.683736 -0.967613
C 0.579803 -0.723157 1.338213
C 0.902098 0.097346 -0.934802
C -2.872983 0.668482 0.005205
C -1.818988 -1.493378 -0.552418
C 2.869483 -0.349366 0.498236
C -2.497670 -2.484534 0.397097
C -3.593931 0.804850 -1.213380
C -3.445478 1.206622 1.186031
C 3.816293 0.794742 0.107921
C -3.142923 -3.680189 -0.326320
C -4.838391 1.467970 -1.251739
C -4.691681 1.873998 1.149022
C -5.393899 2.009442 -0.068894
C 6.214012 1.258988 -0.132520
C 7.541245 0.500394 -0.085697
H -0.747051 0.911335 1.782291
H -1.454499 -0.694047 2.111619
H -0.488027 1.746905 -0.664553
H -0.900183 0.631210 -2.003268
H 1.017360 -0.719173 2.353714
H 0.527065 -1.795503 1.007088
H 0.892375 -0.929619 -1.376207
H 1.556495 0.719832 -1.571131
H 3.073553 -1.232365 -0.155631
H 3.113621 -0.648875 1.533921
H -1.724521 -2.844844 1.109269
H -3.239432 -1.937940 1.011485
H -3.181216 0.379698 -2.135815
H -2.924312 1.117353 2.143870
H 3.639654 1.136528 -0.935132
H 3.663537 1.657056 0.789904
H -3.954401 -3.343404 -0.995052
H -2.402094 -4.206707 -0.951009
H -3.565602 -4.393905 0.402992
H -5.375496 1.559632 -2.202525
H -5.112020 2.287855 2.072844
H -6.359827 2.525825 -0.096608
H 6.020076 1.640304 -1.158401
H 6.210526 2.112994 0.579846
H 8.372746 1.156200 -0.394019
H 7.725135 0.145105 0.950179
H 6.683157 -1.107568 -0.875421


