%chk=000223319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223319

0 1
O 4.587618 1.583659 0.421905
O -4.570349 1.656820 -0.437640
N 2.829826 1.983377 -1.635865
N -2.805921 2.043803 1.616893
C -0.019614 -1.755494 0.005806
C 1.229160 -0.883141 0.171580
C -1.253652 -0.863754 -0.167040
C -0.295419 -2.644887 1.234280
C 0.241251 -2.659164 -1.215479
C 1.422660 0.181750 -0.730625
C -1.429214 0.211515 0.726463
C 2.189612 -1.140001 1.151663
C -2.218393 -1.112509 -1.145018
C 2.562849 0.989687 -0.659378
C -2.555729 1.037840 0.648571
C 3.335941 -0.337423 1.259144
C -3.351127 -0.291764 -1.259076
C 3.511167 0.715008 0.369204
C -3.508602 0.770704 -0.377767
H 0.496863 -3.384239 1.388329
H -0.390420 -2.050734 2.150426
H -1.236038 -3.195568 1.111438
H 1.172503 -3.224540 -1.088100
H -0.563320 -3.386323 -1.363726
H 0.346218 -2.074013 -2.136320
H 0.677042 0.372425 -1.502863
H -0.680484 0.395940 1.497198
H 2.069228 -1.966398 1.849230
H -2.111918 -1.946488 -1.835790
H 4.071495 -0.541740 2.031709
H -4.090109 -0.490027 -2.029947
H 2.012519 2.456936 -1.996079
H 3.556443 2.642200 -1.372740
H -1.980764 2.506411 1.973401
H -3.521348 2.712598 1.348348
H 5.238227 1.306236 1.108615
H -5.225600 1.384698 -1.122050


%chk=000223319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223319

0 1
O 4.727540 1.581404 0.353280
O -4.710651 1.657191 -0.367406
N 2.918902 2.006289 -1.596995
N -2.892886 2.068754 1.577290
C -0.019493 -1.742188 0.005314
C 1.247219 -0.864265 0.187661
C -1.271610 -0.845093 -0.183707
C -0.282671 -2.655985 1.239003
C 0.228592 -2.669576 -1.221354
C 1.494315 0.170388 -0.752737
C -1.500246 0.201883 0.747693
C 2.195162 -1.085309 1.214818
C -2.224444 -1.059262 -1.207818
C 2.653367 0.980949 -0.693006
C -2.645555 1.031283 0.682018
C 3.364204 -0.285547 1.293925
C -3.379893 -0.240567 -1.292843
C 3.591538 0.729211 0.353695
C -3.589043 0.786130 -0.361426
H 0.536523 -3.384654 1.384154
H -0.396847 -2.065133 2.165085
H -1.218364 -3.221822 1.083818
H 1.155305 -3.248889 -1.062104
H -0.602161 -3.386220 -1.360401
H 0.351527 -2.087817 -2.152048
H 0.752888 0.367377 -1.537436
H -0.754678 0.393442 1.529819
H 2.042266 -1.870214 1.959769
H -2.085987 -1.853191 -1.946036
H 4.094448 -0.462223 2.095339
H -4.114001 -0.411982 -2.091874
H 2.265232 2.229825 -2.339874
H 3.768716 2.552202 -1.487331
H -2.234773 2.287818 2.317578
H -3.733859 2.627457 1.463983
H 5.339885 1.346268 1.091435
H -5.327866 1.425468 -1.102579


