%chk=000236979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236979

0 1
O 1.409581 1.895689 -1.061992
O -1.633447 -0.731345 0.271552
O -1.248801 1.353669 -0.560767
O 4.884121 -2.362651 1.129579
O 5.552158 -0.544863 0.161702
O 0.937328 3.129436 0.788793
N 4.687930 -1.293282 0.580091
C 0.597070 -0.094463 0.075105
C 1.653151 0.733093 -0.358759
C 0.913411 -1.320178 0.688206
C 3.265417 -0.867607 0.403505
C 2.997709 0.359091 -0.201035
C 2.241023 -1.712244 0.855426
C -0.815022 0.315651 -0.127237
C -3.038037 -0.666879 0.214305
C -3.754437 0.127565 -0.680813
C -3.650162 -1.550215 1.115978
C -5.150151 0.024322 -0.668250
C -5.042670 -1.634054 1.101782
C -5.791755 -0.850153 0.213774
C 0.894891 3.052700 -0.403788
C 0.431124 3.971079 -1.464588
H 0.100177 -1.971703 1.032822
H 3.802317 1.018084 -0.548716
H 2.489863 -2.667121 1.333010
H -3.248383 0.815576 -1.358694
H -3.047256 -2.145767 1.796769
H -5.737635 0.634186 -1.355077
H -5.549163 -2.312443 1.788583
H -6.877920 -0.922294 0.213351
H 0.962901 3.825028 -2.420436
H 0.536616 5.024534 -1.161092
H -0.642249 3.783259 -1.672590


%chk=000236979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236979

0 1
O 1.529959 1.943419 -1.106995
O -1.652904 -0.658285 0.342659
O -1.175714 1.206119 -1.002322
O 4.937167 -2.427858 1.224450
O 5.649806 -0.513245 0.208267
O 0.517122 3.009911 0.725391
N 4.721933 -1.302320 0.632131
C 0.631192 -0.104159 0.008618
C 1.712654 0.730051 -0.411324
C 0.944089 -1.329366 0.659934
C 3.307126 -0.889211 0.424912
C 3.049191 0.338931 -0.208768
C 2.270927 -1.734767 0.875327
C -0.792290 0.253863 -0.285238
C -3.082216 -0.641888 0.261769
C -3.849559 0.182310 -0.594499
C -3.690469 -1.577438 1.128895
C -5.257298 0.047765 -0.562683
C -5.095169 -1.693635 1.144588
C -5.885127 -0.880511 0.297169
C 0.807518 3.024227 -0.478333
C 0.528325 4.085061 -1.504774
H 0.117803 -1.963741 0.985680
H 3.868668 0.981748 -0.537723
H 2.514974 -2.677395 1.370093
H -3.369779 0.905290 -1.253459
H -3.059200 -2.193814 1.775958
H -5.862703 0.681038 -1.220200
H -5.569944 -2.416282 1.816517
H -6.976366 -0.970049 0.309060
H 1.411089 4.259895 -2.140627
H 0.217869 5.016011 -1.009313
H -0.288973 3.724026 -2.154662


