%chk=000258988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258988

0 1
O -4.913397 0.859888 -1.062188
N -1.836395 -0.089674 0.325647
N 1.011983 -0.240173 -0.178199
N -3.748397 2.026538 0.486618
C -3.296946 -0.440359 0.248912
C -0.994481 -1.156312 0.961290
C -1.255502 0.252675 -1.018171
C 0.439849 -0.622568 1.156055
C 0.165575 0.817159 -0.819785
C -3.840597 -0.795616 1.642560
C -3.631749 -1.557949 -0.746908
C 2.418179 0.124499 -0.066195
C -4.049647 0.854189 -0.200159
C 3.374919 -0.902748 -0.257572
C 2.843391 1.439243 0.186200
C 4.737650 -0.576433 -0.192967
C 2.968561 -2.316046 -0.518791
C 4.205187 1.743498 0.239124
C 5.153010 0.734962 0.050794
H -0.968629 -2.091074 0.359102
H -1.417172 -1.412634 1.955276
H -1.889469 1.020698 -1.509063
H -1.214666 -0.623965 -1.702691
H 0.433873 0.227071 1.873162
H 1.077043 -1.420925 1.593432
H 0.610320 1.064397 -1.808150
H 0.117064 1.757848 -0.229424
H -3.499312 -0.086490 2.407062
H -3.535029 -1.799541 1.956685
H -4.938953 -0.781131 1.648364
H -3.118544 -2.491453 -0.502451
H -3.374114 -1.284048 -1.777615
H -4.713022 -1.758595 -0.760015
H 2.112045 2.229682 0.344465
H -2.938701 2.092269 1.084019
H -4.170076 2.894355 0.196229
H 5.483120 -1.356862 -0.339203
H 3.701971 -2.854904 -1.130846
H 2.846631 -2.870847 0.421211
H 2.002314 -2.366048 -1.048857
H 4.525291 2.765739 0.429997
H 6.214922 0.968686 0.092946


%chk=000258988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258988

0 1
O -5.273387 0.890550 -0.548470
N -1.866165 -0.120024 0.309779
N 1.009881 -0.014456 -0.071946
N -3.566364 1.926976 0.658413
C -3.326848 -0.481114 0.170667
C -0.980365 -1.163726 0.890256
C -1.256797 0.397163 -0.949633
C 0.412372 -0.569599 1.167856
C 0.126861 1.009459 -0.666218
C -3.852050 -1.140744 1.477705
C -3.643517 -1.407697 -1.032530
C 2.425549 0.213708 -0.088695
C -4.147170 0.847579 0.029757
C 3.331464 -0.897053 -0.016163
C 2.952062 1.528554 -0.235352
C 4.722652 -0.636099 -0.048733
C 2.837523 -2.332922 0.016711
C 4.342979 1.758484 -0.281935
C 5.239602 0.673345 -0.173899
H -0.866840 -2.039137 0.205910
H -1.403406 -1.520128 1.843418
H -1.918456 1.171400 -1.378064
H -1.130646 -0.410284 -1.706236
H 0.309945 0.231154 1.939100
H 1.069962 -1.349680 1.581055
H 0.570900 1.361462 -1.614140
H -0.002661 1.892607 0.007492
H -3.541392 -0.566238 2.368512
H -3.497232 -2.181917 1.576366
H -4.954814 -1.164090 1.447143
H -3.095863 -2.363565 -0.937874
H -3.378540 -0.939462 -1.995400
H -4.725301 -1.615306 -1.062874
H 2.268122 2.381201 -0.297420
H -2.631552 1.785227 1.055073
H -4.048775 2.823663 0.682012
H 5.414251 -1.487051 -0.004171
H 3.573836 -3.005710 -0.456653
H 2.677822 -2.706200 1.048067
H 1.876990 -2.423366 -0.522029
H 4.721550 2.781182 -0.392036
H 6.321918 0.838853 -0.204922


