%chk=000266446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266446

0 1
O 1.974199 0.944420 0.449640
O 3.048206 -1.865008 -1.102831
O 5.430313 0.006519 1.072769
N 0.059507 -0.068029 -0.497707
N -1.139418 -1.960672 0.046678
N -1.777431 1.615681 -0.292264
N -3.941545 0.568349 0.355982
N -4.171375 -1.747805 0.729939
N -3.775410 2.868629 -0.134338
C 1.209915 0.812439 -0.764816
C 3.289544 -0.452250 -1.009109
C 2.161388 0.209017 -1.812848
C 3.092743 0.018916 0.456717
C 4.260384 0.830395 1.036834
C -1.252246 0.356449 -0.233307
C 0.061373 -1.500571 -0.289706
C -1.988380 -0.836190 0.092377
C -3.373068 -0.685199 0.394199
C -3.134936 1.643101 -0.006094
H 0.845974 1.850418 -0.971510
H 4.298186 -0.239598 -1.412037
H 2.545159 0.989698 -2.491901
H 1.661947 -0.540109 -2.465374
H 2.810582 -0.828502 1.119480
H 4.074001 1.075785 2.103003
H 4.440545 1.764091 0.480238
H 0.974363 -2.075392 -0.429836
H 3.752462 -2.370350 -0.643390
H 5.928320 0.075720 0.234935
H -3.781456 -2.676592 0.779709
H -5.146705 -1.616329 0.941163
H -3.209974 3.703200 -0.185781
H -4.703767 2.968068 0.249984


%chk=000266446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266446

0 1
O 1.961377 1.239933 0.154464
O 3.314628 -1.802619 -1.189140
O 5.108833 -0.431861 1.082315
N 0.039842 -0.066121 -0.619624
N -1.102284 -1.968447 -0.016987
N -1.763213 1.607925 -0.296122
N -3.867502 0.559482 0.477157
N -4.071199 -1.762173 0.847852
N -3.704143 2.861463 0.109387
C 1.125331 0.840826 -1.004687
C 3.290658 -0.336173 -1.123522
C 2.128574 0.203073 -1.997758
C 2.959831 0.165744 0.315347
C 4.167288 0.708908 1.069025
C -1.254638 0.348582 -0.270290
C 0.071195 -1.473887 -0.441724
C -1.940138 -0.838503 0.093673
C -3.305228 -0.686169 0.477757
C -3.083063 1.629949 0.094865
H 0.648999 1.770950 -1.349377
H 4.265960 0.067304 -1.457670
H 2.489876 0.983054 -2.686264
H 1.683860 -0.608003 -2.595309
H 2.521412 -0.680098 0.885407
H 3.884240 1.012235 2.095684
H 4.598107 1.579370 0.533326
H 0.967352 -2.056625 -0.653310
H 4.042431 -2.109486 -0.587959
H 5.894017 -0.218793 1.642830
H -3.659102 -2.692444 0.849562
H -5.041418 -1.614874 1.115106
H -3.171827 3.686863 -0.148593
H -4.676656 2.918917 0.395376


