%chk=000219827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219827

0 1
O 5.016453 0.360056 -0.001075
O 4.405758 -1.714353 -0.000257
O -4.323062 -1.572350 -0.000755
N 4.166843 -0.517534 -0.000574
N -2.276132 0.264404 0.000234
N -3.574891 0.661485 0.000511
N -5.882283 0.101421 -0.000331
C 0.076737 0.696160 0.000518
C 2.750558 -0.098606 -0.000200
C 1.101814 1.663703 0.000297
C 0.406231 -0.672048 0.000368
C 2.437394 1.270314 -0.000064
C 1.740082 -1.073420 0.000011
C -1.324603 1.161431 0.000946
C -4.568908 -0.388962 -0.000333
H 0.856260 2.725390 0.000381
H -0.391625 -1.423985 0.000498
H 3.243956 2.011886 -0.000266
H 2.007935 -2.136381 -0.000112
H -1.460139 2.252045 0.001744
H -3.846995 1.649620 0.001207
H -6.638962 -0.569038 -0.000450
H -6.137921 1.069164 0.000503


%chk=000219827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219827

0 1
O 5.093265 0.478041 -0.000074
O 4.496073 -1.724879 -0.000559
O -4.460066 -1.618538 -0.000139
N 4.207441 -0.464760 -0.000251
N -2.298695 0.163702 0.000236
N -3.597117 0.587811 0.000467
N -5.909581 0.211287 0.000311
C 0.066192 0.656960 0.000162
C 2.779709 -0.078088 -0.000027
C 1.084616 1.652300 0.000342
C 0.438547 -0.721016 -0.000137
C 2.443568 1.293522 0.000245
C 1.790798 -1.091989 -0.000241
C -1.339770 1.069513 0.000282
C -4.648446 -0.379913 0.000378
H 0.805986 2.712616 0.000564
H -0.353009 -1.476260 -0.000283
H 3.240684 2.041115 0.000384
H 2.100659 -2.140149 -0.000484
H -1.545894 2.159243 0.000520
H -3.824650 1.594829 0.000648
H -6.706938 -0.419825 -0.000032
H -6.078872 1.214881 0.000487


