%chk=000225632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225632

0 1
O 2.673761 2.457027 0.800514
O -4.284269 3.481768 0.691293
O -4.179290 -3.628163 -0.747806
N -2.122948 0.021442 -0.337380
N -3.328865 4.768011 -0.904806
N -4.761946 -3.798154 1.430295
C -0.749084 -0.281200 -0.271789
C 1.522669 0.427852 0.087123
C 2.004339 -0.855720 -0.310149
C -2.653015 1.261218 0.283512
C -3.115116 -1.054639 -0.556058
C 3.474999 -0.853490 -0.230280
C 0.185392 0.731909 0.118163
C 3.905070 0.437445 0.216411
C 2.706846 1.310349 0.435675
C -0.270404 -1.551687 -0.658939
C 1.102588 -1.838518 -0.682884
C -2.688157 2.390527 -0.764281
C -3.396037 -1.871229 0.721777
C 4.402198 -1.843534 -0.504733
C 5.245179 0.724791 0.383852
C 5.769947 -1.543205 -0.331665
C 6.186786 -0.288024 0.103102
C -3.498115 3.554985 -0.239388
C -4.129361 -3.147070 0.371810
H -3.683842 1.093409 0.679256
H -2.043564 1.574385 1.162022
H -4.059071 -0.603392 -0.937669
H -2.756422 -1.737383 -1.368647
H -0.143070 1.721327 0.431952
H -0.967567 -2.332573 -0.964325
H 1.444039 -2.825896 -0.991684
H -1.656807 2.687379 -1.042449
H -3.142932 2.017568 -1.708687
H -2.437957 -2.128869 1.226339
H -3.958400 -1.258455 1.452606
H 4.094587 -2.828190 -0.845224
H 5.568998 1.708832 0.724281
H 6.510010 -2.315550 -0.545022
H 7.247341 -0.078688 0.229739
H -2.670823 4.909154 -1.647994
H -3.836703 5.582695 -0.593128
H -4.765823 -3.458589 2.373222
H -5.259860 -4.659456 1.259846


%chk=000225632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225632

0 1
O 2.669582 2.587411 0.593870
O -4.621221 3.479304 0.239799
O -3.626935 -3.950711 -0.645781
N -2.163922 -0.020273 -0.062623
N -2.969064 4.793704 -0.724325
N -5.140712 -3.787991 1.105753
C -0.788521 -0.289846 -0.119079
C 1.536351 0.437736 0.075333
C 2.022889 -0.861161 -0.252899
C -2.676292 1.296894 0.349525
C -3.151415 -1.065954 -0.368745
C 3.505666 -0.825852 -0.241905
C 0.176317 0.741458 0.146886
C 3.926154 0.501665 0.090295
C 2.709364 1.358711 0.299692
C -0.295561 -1.598928 -0.445743
C 1.089461 -1.879178 -0.514730
C -2.724734 2.331468 -0.809769
C -3.433765 -2.010772 0.837290
C 4.470371 -1.820134 -0.489043
C 5.282483 0.848555 0.178880
C 5.845422 -1.472175 -0.399496
C 6.253586 -0.156203 -0.069957
C -3.520388 3.571267 -0.383915
C -4.070283 -3.321824 0.363180
H -3.706382 1.179566 0.727737
H -2.079140 1.698336 1.189169
H -4.091335 -0.577775 -0.682855
H -2.816209 -1.683987 -1.220182
H -0.120162 1.762933 0.400881
H -0.994612 -2.414908 -0.651721
H 1.410345 -2.895077 -0.771019
H -1.708097 2.588489 -1.156684
H -3.256517 1.871020 -1.664755
H -2.466602 -2.268536 1.309209
H -4.047914 -1.499756 1.601149
H 4.179304 -2.844548 -0.745982
H 5.573565 1.872953 0.434736
H 6.606092 -2.238289 -0.589519
H 7.320613 0.082569 -0.008197
H -2.073285 4.870561 -1.202880
H -3.473794 5.644108 -0.472652
H -5.501812 -3.282556 1.912652
H -5.573591 -4.671875 0.836223


