%chk=000226016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226016

0 1
O 0.166787 2.012891 1.205707
O 2.412600 0.596192 1.749987
O 4.138343 0.435653 -1.260582
O 5.307108 -1.612508 0.111933
O -7.248524 -1.095959 0.796381
O 6.928819 -0.136755 0.687069
C 0.049530 1.336331 -0.104064
C 1.061741 0.178817 -0.267342
C 0.818031 2.633167 0.038539
C -1.355890 1.080946 -0.595119
C 2.381289 0.799899 0.336530
C 2.304152 2.323324 0.039578
C 0.518406 -1.031262 0.503029
C -1.804135 -0.321746 -0.217086
C 1.254503 -0.148991 -1.747251
C -2.329733 2.135294 -0.046067
C -3.271550 -0.661653 -0.495159
C -0.943986 -1.244326 0.244050
C 3.684840 0.158451 -0.178978
C -3.733140 1.893464 -0.595672
C -4.224707 0.513042 -0.266495
C -3.722004 -1.837990 0.416725
C -3.376287 -1.060925 -1.982434
C 4.318509 -0.817314 0.794958
C -5.490284 0.337571 0.148440
C -5.199268 -2.187261 0.266075
C -6.092695 -0.976408 0.446607
C 6.609276 -1.123710 0.073494
C 7.420064 -2.029052 -0.781281
H 0.461990 3.621764 -0.218750
H -1.344582 1.142751 -1.717620
H 2.776721 2.568959 -0.931378
H 2.849939 2.897786 0.811610
H 0.675289 -0.886643 1.598236
H 1.091658 -1.943225 0.242546
H 1.986730 -0.954322 -1.894428
H 0.319921 -0.488738 -2.209907
H 1.622154 0.713680 -2.317880
H -1.986179 3.153875 -0.306017
H -2.330661 2.096978 1.065050
H -1.270690 -2.260227 0.480232
H -3.750778 2.027543 -1.699222
H -4.424321 2.668439 -0.200329
H 1.631586 1.080868 2.167090
H -3.514483 -1.568113 1.473512
H -3.111586 -2.737469 0.201635
H -2.757684 -1.939072 -2.199448
H -4.407913 -1.308678 -2.259264
H -3.045489 -0.253096 -2.643321
H 3.596658 -1.565365 1.176504
H 4.763821 -0.270101 1.656743
H -6.173297 1.176913 0.297399
H -5.488921 -2.972940 0.994669
H -5.406749 -2.632237 -0.729286
H 7.661897 -1.536142 -1.738619
H 6.893719 -2.966830 -1.022507
H 8.373955 -2.283535 -0.293623


%chk=000226016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226016

0 1
O 0.202329 2.076703 1.262779
O 2.463892 0.738184 1.860062
O 4.191846 0.383522 -1.225914
O 5.322222 -1.698065 0.169087
O -7.263051 -1.117853 1.052576
O 6.952212 -0.087824 0.622700
C 0.076757 1.331704 -0.081600
C 1.075972 0.165888 -0.187859
C 0.837140 2.616225 -0.026893
C -1.343034 1.091546 -0.568082
C 2.419717 0.826501 0.395204
C 2.327837 2.318769 -0.061663
C 0.522569 -1.022127 0.629445
C -1.818000 -0.317996 -0.173267
C 1.231290 -0.224400 -1.682314
C -2.329317 2.171692 -0.056273
C -3.288317 -0.679328 -0.524804
C -0.963832 -1.226346 0.378884
C 3.697767 0.136117 -0.099120
C -3.753544 1.891108 -0.579912
C -4.234979 0.499351 -0.218520
C -3.763069 -1.948811 0.244287
C -3.343311 -0.955444 -2.072495
C 4.334129 -0.865955 0.866102
C -5.489610 0.317325 0.305109
C -5.277435 -2.214869 0.125760
C -6.100940 -1.002972 0.555769
C 6.616107 -1.148119 0.055834
C 7.475156 -2.021118 -0.826591
H 0.433139 3.582235 -0.345140
H -1.326081 1.164034 -1.679765
H 2.731787 2.434709 -1.084095
H 2.913137 2.960806 0.618777
H 0.709635 -0.858588 1.709158
H 1.062169 -1.953795 0.363580
H 1.963117 -1.042165 -1.797287
H 0.267755 -0.581400 -2.085441
H 1.585136 0.617965 -2.301465
H -2.000400 3.173392 -0.393554
H -2.317192 2.179625 1.047333
H -1.342603 -2.213020 0.668349
H -3.750958 1.995868 -1.686929
H -4.463110 2.645192 -0.194929
H 1.654282 1.243972 2.167152
H -3.509760 -1.826573 1.315316
H -3.211539 -2.834433 -0.123886
H -2.688117 -1.810298 -2.318043
H -4.372082 -1.191906 -2.397000
H -3.002282 -0.084312 -2.659337
H 3.582052 -1.550497 1.287529
H 4.800206 -0.303082 1.696869
H -6.128165 1.183098 0.524318
H -5.580054 -3.083031 0.737466
H -5.555747 -2.457118 -0.920417
H 7.244766 -1.796300 -1.883780
H 7.258501 -3.087552 -0.655365
H 8.538404 -1.808234 -0.642505


