%chk=000244737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244737

0 1
O -2.370100 -0.407753 1.801612
O 5.709870 1.290161 1.781743
O 5.854238 0.950538 -0.349916
N -1.487862 -1.621547 -1.176169
N -1.002422 -2.741137 -1.028395
N 5.264905 0.893531 0.717087
C -0.022940 -1.420043 0.744074
C -1.024921 -0.617989 -0.151950
C -0.072608 -2.853658 0.137640
C 1.356595 -0.821415 0.724082
C -2.224037 -0.075237 0.644766
C 1.918070 -0.342759 1.919452
C 2.085631 -0.730940 -0.475082
C -3.120214 0.903377 -0.023178
C 3.194571 0.218289 1.923700
C 3.361823 -0.172705 -0.483283
C 3.910558 0.299777 0.719743
C -3.265608 0.981003 -1.415743
C -3.862602 1.767336 0.803801
C -4.133600 1.923689 -1.974325
C -4.722167 2.711434 0.241366
C -4.857297 2.790558 -1.149423
H -0.420389 -1.453048 1.794505
H -0.526910 0.231326 -0.682056
H -0.468437 -3.602537 0.854231
H 0.912369 -3.231563 -0.200618
H 1.355996 -0.405126 2.853577
H 1.653508 -1.099857 -1.407117
H 3.642470 0.594581 2.850850
H 3.940064 -0.097729 -1.411572
H -2.720895 0.300078 -2.074539
H -3.762246 1.686643 1.889941
H -4.248072 1.978842 -3.056443
H -5.291234 3.381590 0.884453
H -5.530707 3.526389 -1.589817


%chk=000244737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244737

0 1
O -2.386242 -0.279864 1.918835
O 5.986944 1.105829 1.730356
O 6.054431 0.721934 -0.517774
N -1.461259 -1.443753 -1.198267
N -1.023624 -2.627545 -1.011280
N 5.452600 0.703352 0.625301
C -0.006689 -1.305635 0.809424
C -0.988831 -0.477259 -0.069281
C -0.168768 -2.751142 0.233430
C 1.420613 -0.788083 0.758633
C -2.227055 0.047893 0.705621
C 2.062135 -0.329878 1.939237
C 2.138492 -0.743930 -0.469707
C -3.185550 0.949370 0.003661
C 3.382022 0.160146 1.907109
C 3.457237 -0.258726 -0.524203
C 4.062810 0.189030 0.671115
C -3.123956 1.191938 -1.396894
C -4.197102 1.583334 0.779697
C -4.055234 2.060815 -2.003325
C -5.120977 2.452499 0.170816
C -5.050180 2.695538 -1.223526
H -0.375146 -1.274998 1.849047
H -0.508002 0.370603 -0.590448
H -0.696333 -3.437012 0.920024
H 0.782030 -3.229897 -0.058909
H 1.518653 -0.355792 2.890183
H 1.661709 -1.095632 -1.392930
H 3.889098 0.516768 2.807411
H 4.021751 -0.219308 -1.459466
H -2.382978 0.675347 -2.013325
H -4.233550 1.376432 1.854290
H -4.010915 2.238354 -3.083048
H -5.894007 2.940605 0.773810
H -5.768729 3.372766 -1.698621


