%chk=000194077.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194077

0 1
O -2.188667 0.478807 -0.854086
O -2.952111 -2.538478 0.958417
O -4.049301 -1.381281 -1.664323
O -5.214242 0.680449 1.048650
O 3.555552 3.474658 -0.989293
O -5.445806 1.024603 -1.157192
O -0.686529 4.585816 0.287217
N 0.460013 0.069131 0.588162
N 3.024940 0.719049 -0.471433
N -0.161774 2.335734 0.428592
N 1.439800 4.009613 -0.343354
C -1.877529 -0.612661 -0.000321
C -0.890737 -0.248212 1.124596
C -3.188779 -1.172380 0.623302
C 1.401399 -0.957215 0.346213
C 0.764267 1.400555 0.253065
C -4.402762 -1.067664 -0.333019
C 2.678847 -0.598143 -0.178475
C 1.122574 -2.317066 0.620210
C 2.132713 1.652183 -0.266492
C 2.078974 -3.295459 0.383783
C 3.364040 -2.939982 -0.145337
C 3.646298 -1.615394 -0.416057
C 2.490552 3.084910 -0.578637
C -5.064660 0.310110 -0.270537
C 1.762951 -4.721313 0.681424
C 4.390947 -3.992831 -0.402111
C 0.115306 3.696438 0.145063
H -1.442421 -1.364352 -0.706267
H -1.269974 0.632461 1.708492
H -0.816345 -1.090549 1.856299
H -3.436596 -0.708095 1.611252
H -5.161583 -1.854580 -0.070042
H 0.148640 -2.602178 1.024554
H 4.617781 -1.308519 -0.819862
H -2.130061 1.356859 -0.389721
H -2.951005 -3.100681 0.145954
H 0.755181 -4.865664 1.095919
H 1.828173 -5.344840 -0.224634
H 2.470408 -5.146022 1.411679
H 5.324617 -3.582075 -0.813042
H 4.660454 -4.527574 0.520793
H 4.030845 -4.740878 -1.123988
H -3.529833 -0.626950 -2.076353
H 1.638810 5.001734 -0.547756
H -5.658768 1.566529 1.154295


%chk=000194077-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194077

0 1
O -2.633161 1.143005 0.169229
O -2.521178 -2.518704 0.768905
O -4.013306 -1.813076 -1.389575
O -5.536018 0.717027 0.784644
O 3.660012 3.464818 -0.958327
O -5.179823 0.624469 -1.520775
O -0.774483 4.556763 -0.036712
N 0.493846 0.079730 0.556800
N 3.084260 0.695468 -0.435335
N -0.190108 2.303684 0.222027
N 1.434272 3.955549 -0.462357
C -2.025788 -0.170819 0.247316
C -0.814965 -0.163532 1.222010
C -3.092543 -1.159562 0.766152
C 1.407076 -0.966602 0.328534
C 0.789236 1.386444 0.159194
C -4.372152 -1.198180 -0.110744
C 2.718736 -0.615342 -0.161156
C 1.096044 -2.332321 0.552326
C 2.159473 1.645369 -0.287729
C 2.059691 -3.336385 0.331556
C 3.384240 -2.991896 -0.129399
C 3.679511 -1.645037 -0.371683
C 2.520859 3.069111 -0.604176
C -5.032309 0.154191 -0.369425
C 1.692646 -4.785435 0.573134
C 4.427524 -4.066757 -0.358517
C 0.092839 3.646868 -0.083736
H -1.684013 -0.524763 -0.752336
H -0.973233 0.652995 1.948929
H -0.749632 -1.117732 1.760782
H -3.363947 -0.923953 1.808710
H -5.102855 -1.856755 0.395965
H 0.090803 -2.631060 0.865362
H 4.662837 -1.331985 -0.735665
H -1.859587 1.814804 0.165928
H -2.629425 -2.852051 -0.165356
H 0.647740 -4.890190 0.906668
H 1.823374 -5.391535 -0.343497
H 2.344135 -5.239185 1.344387
H 5.379190 -3.630825 -0.703167
H 4.631792 -4.638048 0.566864
H 4.096258 -4.799800 -1.118450
H -4.188045 -1.137023 -2.103602
H 1.619642 4.943430 -0.668559
H -5.874867 1.633433 0.600454


