%chk=000184367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184367

0 1
O 0.667564 2.572592 -0.869074
O -0.031545 2.238223 -3.026208
O 0.385163 -4.082296 -3.194723
O 0.868637 -4.829221 -0.993470
O -2.807347 1.806702 1.983377
O 0.024005 3.492767 1.054786
O -4.399193 -0.212129 0.868921
N 3.845550 1.069568 1.585853
C 0.239194 1.530886 -1.839491
C 1.452775 0.658770 -2.141182
C 1.300606 -0.781209 -1.746299
C -1.014210 0.964983 -1.196896
C 1.578656 -1.219036 -0.442313
C -1.277991 1.651412 0.032756
C 2.007671 -0.264676 0.635885
C 0.885011 -1.687029 -2.761447
C -0.214999 2.666471 0.215361
C 1.462304 -2.592328 -0.090398
C -1.830585 -0.026150 -1.675996
C 3.519295 0.030660 0.554375
C 0.771504 -3.007182 -2.402226
C 1.059264 -3.455943 -1.079193
C -2.381675 1.301557 0.791929
C -3.248731 0.252863 0.284759
C -2.968849 -0.384893 -0.917099
C 0.440153 -5.261999 -2.326900
C 5.282521 0.982129 1.984243
C 3.532583 2.441109 1.085660
C -2.000277 2.788041 2.689638
C -4.777681 0.271601 2.182365
H 2.344891 1.114198 -1.641903
H 1.681839 0.749019 -3.231506
H 1.432400 0.683219 0.574673
H 1.770660 -0.662372 1.645338
H 0.673801 -1.346192 -3.771823
H 1.683996 -2.935002 0.917194
H -1.619031 -0.540737 -2.614289
H 3.797716 0.333559 -0.478152
H 4.083805 -0.901197 0.771899
H -0.653068 2.987451 -2.878332
H -3.637728 -1.173089 -1.269095
H 1.208666 -5.937654 -2.724491
H -0.577681 -5.663683 -2.239498
H 5.482434 1.737201 2.761938
H 6.001930 1.134087 1.166910
H 5.469858 -0.003651 2.438641
H 2.482916 2.488071 0.741839
H 4.171620 2.794095 0.264197
H 3.620268 3.150812 1.923981
H -0.995142 2.396709 2.879161
H -1.959261 3.722468 2.118318
H -2.568645 2.907591 3.619375
H -3.992750 0.046801 2.911268
H -5.687085 -0.311177 2.374797
H -4.988786 1.345826 2.139968


%chk=000184367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184367

0 1
O 0.385940 2.261335 0.272304
O 0.469524 3.100473 -1.980345
O -0.581373 -3.790319 -0.936563
O 0.791784 -4.204703 0.985858
O -3.793483 0.920262 1.531622
O -0.813595 2.156059 2.253857
O -5.309330 0.395161 -0.856911
N 5.384997 1.154572 0.643423
C 0.179380 1.932115 -1.190084
C 1.232144 0.881131 -1.619386
C 1.182714 -0.439000 -0.860941
C -1.277314 1.505020 -1.230611
C 2.000152 -0.683026 0.285983
C -1.808702 1.420062 0.079192
C 2.998800 0.342057 0.807565
C 0.293558 -1.448807 -1.343284
C -0.778458 1.938820 1.027855
C 1.926898 -1.942359 0.957024
C -2.061759 1.253372 -2.363589
C 4.364004 0.246521 0.074011
C 0.247742 -2.665355 -0.667174
C 1.053295 -2.908955 0.462626
C -3.156183 1.018623 0.298393
C -3.959622 0.746862 -0.864022
C -3.407982 0.882597 -2.163452
C -0.065075 -4.857204 -0.039127
C 6.748030 0.801051 0.195828
C 5.090026 2.584029 0.412601
C -3.092596 0.280363 2.674412
C -5.914488 -0.357448 0.261316
H 2.212401 1.375701 -1.518869
H 1.069906 0.708569 -2.699048
H 2.577083 1.356842 0.720668
H 3.191994 0.170184 1.881811
H -0.334536 -1.271470 -2.220778
H 2.545070 -2.136510 1.838006
H -1.648659 1.343698 -3.372633
H 4.213900 0.427707 -1.024828
H 4.740996 -0.789630 0.171881
H -0.196196 3.807954 -1.778842
H -4.070532 0.664534 -3.006448
H 0.553587 -5.559297 -0.631011
H -0.913760 -5.346845 0.461764
H 7.485858 1.441322 0.712236
H 6.901560 0.922392 -0.907708
H 6.965661 -0.250099 0.456956
H 4.120856 2.857629 0.861278
H 5.058222 2.853041 -0.675248
H 5.868773 3.201594 0.894629
H -2.594687 -0.649491 2.341182
H -2.354885 0.972961 3.105953
H -3.892876 0.047823 3.393339
H -5.288711 -1.225141 0.539505
H -6.878453 -0.703826 -0.142941
H -6.064605 0.289646 1.138170


