%chk=000269982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269982

0 1
O 0.126648 -2.988630 0.443097
N -1.667255 -1.046320 -0.376699
N -0.334032 -1.024757 -0.718374
C -4.400281 1.174263 0.223521
C -3.893157 -0.146676 -0.397508
C -3.756455 1.414925 1.592949
C -5.929015 1.137703 0.341456
C -2.435157 -0.067487 -0.758715
C 1.945228 -1.933096 -0.723382
C 2.540058 -0.574945 -0.497013
C 0.504762 -2.068252 -0.239575
C 2.972231 0.199536 -1.583332
C 2.670782 -0.078714 0.809951
C 3.533180 1.460880 -1.361032
C 3.229588 1.182892 1.024089
C 3.661537 1.955305 -0.059919
H -4.120798 2.019303 -0.453996
H -4.472087 -0.388734 -1.313009
H -4.083820 -0.990940 0.301484
H -4.079583 2.366412 2.026652
H -4.016277 0.623450 2.306082
H -2.662940 1.432359 1.524133
H -6.408253 1.014533 -0.635116
H -6.266474 0.313696 0.980588
H -6.313611 2.064676 0.781120
H -2.138921 0.822235 -1.327856
H 1.996876 -2.237086 -1.790774
H 2.553884 -2.701716 -0.187715
H 2.883094 -0.179571 -2.599230
H 2.335917 -0.678417 1.656508
H 0.075540 -0.231825 -1.227327
H 3.872905 2.058304 -2.206136
H 3.330471 1.565401 2.039405
H 4.098714 2.937293 0.110574


%chk=000269982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269982

0 1
O -0.036570 -3.333727 -0.115428
N -1.645213 -1.022550 -0.441747
N -0.249587 -1.012758 -0.428948
C -4.331938 1.194978 0.422917
C -3.746009 0.218972 -0.643502
C -4.039686 0.698267 1.857392
C -5.850306 1.379192 0.195914
C -2.242835 0.132035 -0.608158
C 2.016999 -2.010211 -0.292451
C 2.553528 -0.592234 -0.389036
C 0.475291 -2.195956 -0.265219
C 2.831112 -0.001877 -1.651254
C 2.773820 0.182138 0.782027
C 3.311536 1.324469 -1.742584
C 3.254397 1.508132 0.694706
C 3.523390 2.084959 -0.568875
H -3.840639 2.183231 0.288079
H -4.062860 0.568963 -1.648953
H -4.163433 -0.794431 -0.498136
H -4.429713 1.409821 2.608514
H -4.520800 -0.282624 2.034201
H -2.955814 0.571535 2.032487
H -6.064535 1.774546 -0.814904
H -6.380331 0.413300 0.301821
H -6.278958 2.081150 0.934743
H -1.682220 1.085835 -0.727608
H 2.371009 -2.623941 -1.141590
H 2.385075 -2.511560 0.621157
H 2.676595 -0.589717 -2.564541
H 2.574177 -0.261497 1.765267
H 0.277102 -0.131744 -0.538331
H 3.525979 1.760242 -2.724836
H 3.424491 2.087647 1.609041
H 3.900245 3.111417 -0.637265


