%chk=000220477.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220477

0 1
O 3.893423 0.061170 0.328013
O -1.142804 -3.084258 -1.149737
O 2.639167 1.883727 -0.114894
N -0.549503 -0.865579 -1.088623
N 0.119379 1.444844 -0.998349
N 1.052069 -2.643370 -0.490915
C -1.917910 -0.511957 -1.567693
C -2.731737 0.224698 -0.533561
C 0.402089 0.115272 -0.813419
C 1.695557 -0.307787 -0.379272
C -0.240975 -2.323239 -0.909143
C -3.402421 1.404464 -0.889355
C -2.849107 -0.279805 0.769225
C 1.952429 -1.703734 -0.248725
C 2.724811 0.662596 -0.065254
C -4.176658 2.078901 0.058873
C -3.620608 0.401838 1.714205
C -4.283108 1.582210 1.361954
C 5.009944 0.960728 0.673148
C 6.122340 0.011151 1.057538
H -2.445620 -1.475251 -1.825176
H -1.840897 0.050603 -2.525256
H -3.340795 1.790788 -1.905103
H -2.344803 -1.208157 1.042422
H 2.955769 -2.036976 0.078542
H -0.820715 1.784356 -1.137575
H 0.833073 2.150504 -0.747656
H -4.701083 2.992306 -0.219694
H -3.708928 0.008269 2.726855
H -4.885068 2.110714 2.099788
H 5.232983 1.570959 -0.218840
H 4.671644 1.609142 1.499462
H 7.030373 0.557909 1.339774
H 5.834030 -0.625499 1.905779
H 6.378962 -0.665039 0.229862


%chk=000220477-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220477

0 1
O 3.966358 0.006059 0.315483
O -1.231227 -3.121273 -1.167681
O 2.630916 1.867590 -0.108616
N -0.546313 -0.878187 -1.044819
N 0.110245 1.400666 -0.849505
N 1.002434 -2.724881 -0.547082
C -1.888995 -0.482273 -1.550429
C -2.752078 0.261350 -0.535611
C 0.410272 0.076593 -0.754004
C 1.719304 -0.372669 -0.370360
C -0.281843 -2.330070 -0.922156
C -3.444178 1.439283 -0.913972
C -2.908886 -0.239919 0.781651
C 1.925102 -1.782851 -0.299921
C 2.765404 0.598415 -0.057541
C -4.280632 2.109098 0.009438
C -3.739158 0.431028 1.704405
C -4.426732 1.608091 1.322543
C 5.087390 0.937899 0.650335
C 6.278258 0.064729 1.030322
H -2.368095 -1.439979 -1.823907
H -1.761257 0.119044 -2.470987
H -3.347781 1.823770 -1.938480
H -2.388827 -1.158723 1.076437
H 2.919027 -2.142956 -0.013498
H -0.851294 1.728030 -0.938320
H 0.890452 2.042976 -0.618296
H -4.814391 3.015936 -0.295628
H -3.856401 0.034323 2.718880
H -5.072140 2.125748 2.040482
H 5.288000 1.570830 -0.232771
H 4.758590 1.593016 1.476960
H 7.141694 0.704822 1.287721
H 6.042130 -0.567347 1.903267
H 6.569954 -0.591671 0.192859


