%chk=000187187.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187187

0 1
O -4.733153 0.883131 -0.001603
O 3.709618 1.471931 0.931201
O -2.783877 1.893292 0.549998
O 3.272187 1.357690 -1.287593
O 1.895843 -3.254434 0.725541
N 0.642322 -1.966089 -0.509393
N 0.800249 -3.022972 0.289472
C -0.739306 -1.673594 -0.985679
C -1.361173 -0.514686 -0.192113
C 1.734460 -1.030404 -0.902710
C -2.798975 -0.255613 -0.645428
C 2.174458 -0.166807 0.287605
C -3.357560 0.962719 0.038980
C 3.079189 0.940121 -0.170104
C -5.471928 1.989105 0.583387
C 4.610016 2.588382 0.696096
H -1.362919 -2.593824 -0.880065
H -0.701695 -1.436963 -2.072790
H -0.757635 0.411211 -0.311014
H -1.340087 -0.741584 0.894835
H 1.407898 -0.388019 -1.751173
H 2.601253 -1.630731 -1.271930
H -3.449626 -1.135988 -0.445422
H -2.852190 -0.097646 -1.745678
H 2.683769 -0.795956 1.057356
H 1.301317 0.270534 0.821392
H -6.506227 1.630794 0.548202
H -5.326365 2.882830 -0.030829
H -5.133090 2.164189 1.609813
H 5.116126 2.693553 1.661761
H 4.018636 3.473915 0.444700
H 5.310267 2.345813 -0.110113


%chk=000187187-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187187

0 1
O -4.891033 0.868983 -0.041104
O 3.801198 1.498195 1.004725
O -2.886101 1.854819 0.618384
O 3.427420 1.282972 -1.284422
O 2.153368 -3.302211 0.361171
N 0.644677 -1.920577 -0.562622
N 0.909388 -3.124706 0.066919
C -0.765364 -1.689566 -0.921885
C -1.404222 -0.511420 -0.153949
C 1.722117 -0.967357 -0.905504
C -2.880308 -0.328127 -0.557960
C 2.229128 -0.173794 0.320080
C -3.500132 0.908713 0.075449
C 3.194247 0.919088 -0.107749
C -5.617668 2.042672 0.505851
C 4.755430 2.599318 0.718959
H -1.293108 -2.633829 -0.697368
H -0.835946 -1.507957 -2.013673
H -0.858813 0.428753 -0.355957
H -1.331761 -0.697150 0.933578
H 1.344223 -0.281623 -1.681272
H 2.562385 -1.545479 -1.331650
H -3.492651 -1.207880 -0.287932
H -2.971927 -0.218412 -1.658139
H 2.730335 -0.848026 1.035400
H 1.389385 0.299869 0.862810
H -6.678785 1.824864 0.322448
H -5.303365 2.962680 -0.014942
H -5.412467 2.148784 1.584142
H 5.108427 2.925617 1.706801
H 4.244671 3.418834 0.186198
H 5.589055 2.227853 0.099914


