%chk=000217421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217421

0 1
O 3.370254 -1.028238 -1.086026
N -3.321513 -0.610771 0.169138
C -1.165736 0.492384 -0.419663
C -1.650138 -0.372719 -1.622975
C -2.386698 0.491933 0.556634
C -3.100659 -0.787860 -1.304100
C -0.866794 1.943723 -0.870789
C 0.105485 -0.112199 0.169625
C -3.041990 -1.867058 0.925950
C 1.203298 -0.326304 -0.670615
C 0.214792 -0.444790 1.532276
C -0.510691 2.844356 0.275087
C 2.383872 -0.874759 -0.135268
C 1.394242 -0.987081 2.042167
C 2.501023 -1.213544 1.218198
C -1.026610 4.060040 0.444350
C 4.641529 -1.574920 -0.661244
H -1.015701 -1.267155 -1.752311
H -1.592017 0.177934 -2.573994
H -2.085909 0.429108 1.619753
H -2.959616 1.440344 0.457092
H -3.826389 -0.120904 -1.816868
H -3.321826 -1.817510 -1.636202
H -1.741048 2.336779 -1.429696
H -0.026973 1.949104 -1.598577
H -3.740190 -2.649792 0.590974
H -3.244335 -1.690060 1.993892
H -2.014558 -2.248075 0.824449
H 1.172297 -0.078508 -1.728999
H -0.632079 -0.276484 2.199347
H 0.227765 2.432238 0.967837
H 1.457920 -1.239203 3.101225
H 3.410378 -1.635554 1.627030
H -0.750764 4.709518 1.261908
H -1.758886 4.503173 -0.213558
H 4.509897 -2.591966 -0.281368
H 5.108899 -0.919437 0.079069
H 5.210470 -1.576142 -1.600147


%chk=000217421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217421

0 1
O 3.316685 -1.566191 -1.101983
N -3.352297 -0.637459 0.052557
C -1.126087 0.445798 -0.342326
C -1.605264 -0.372118 -1.596599
C -2.364504 0.306062 0.652807
C -3.146128 -0.464672 -1.413810
C -0.964441 1.956799 -0.780906
C 0.212824 -0.053413 0.230132
C -3.179997 -2.041009 0.504986
C 1.190878 -0.607510 -0.628340
C 0.542352 0.093693 1.608638
C -0.661400 2.933977 0.333722
C 2.449933 -1.027081 -0.134201
C 1.796721 -0.324216 2.096759
C 2.766314 -0.892925 1.238890
C -1.442336 3.990522 0.676025
C 4.633073 -2.020663 -0.650943
H -1.172313 -1.388557 -1.584349
H -1.315924 0.109161 -2.548471
H -2.076118 -0.049980 1.654932
H -2.842506 1.296672 0.772070
H -3.632222 0.479200 -1.731251
H -3.608825 -1.292754 -1.977146
H -1.895502 2.263599 -1.297470
H -0.144223 1.996379 -1.527328
H -3.932257 -2.675726 0.003291
H -3.365844 -2.096164 1.591969
H -2.169673 -2.474015 0.307683
H 1.004099 -0.728584 -1.699881
H -0.177722 0.538379 2.302683
H 0.275707 2.762744 0.883548
H 2.028910 -0.207111 3.161590
H 3.732154 -1.213413 1.640026
H -1.160390 4.675907 1.483677
H -2.383590 4.205807 0.153746
H 4.545844 -2.835776 0.094081
H 5.222496 -1.187795 -0.219748
H 5.132576 -2.397962 -1.555459


