%chk=000186758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186758

0 1
O -0.059055 1.549841 0.140140
O -1.823392 -0.580352 -0.886278
O 0.149622 -1.070979 0.279664
O -2.908789 2.522741 1.525927
O -1.212125 -1.611161 2.545372
O -2.604460 1.910926 -1.957124
O -2.789412 -3.781616 1.564632
O -0.218681 2.359890 2.548905
O -2.866890 -4.071614 -1.361930
O -0.556314 4.966744 -1.059699
O -1.337943 -1.451434 -3.900014
O 0.859046 -0.053452 -1.644866
O 3.797678 2.036952 -1.064515
O 2.426989 2.408293 0.664971
C -1.150657 0.927228 0.854523
C -1.182426 -0.558754 0.385774
C -2.453077 1.691405 0.481158
C -1.943843 -1.540777 1.325284
C -2.081482 2.514930 -0.785840
C -0.540653 2.542666 -0.818245
C -2.064210 -2.944123 0.675645
C -0.725259 1.043287 2.337258
C -1.839207 -1.864419 -1.572532
C -2.712853 -2.817027 -0.723948
C 0.037798 3.884350 -0.342062
C -2.403972 -1.522708 -2.956343
C 1.114379 -0.524880 -0.571526
C 2.441266 -0.824538 0.047539
C 3.383241 0.182758 0.304140
C 2.742588 -2.156350 0.364995
C 4.631489 -0.146670 0.849312
C 3.986871 -2.481194 0.914035
C 3.100902 1.622794 0.040361
C 4.930731 -1.478642 1.152957
H -3.321948 1.023086 0.284572
H -2.950104 -1.115999 1.559417
H -2.543916 3.531784 -0.785296
H -0.127957 2.204001 -1.793430
H -1.061425 -3.436869 0.636094
H 0.042873 0.287620 2.597069
H -1.587036 0.958661 3.027137
H -0.790816 -2.232230 -1.662182
H -3.766908 -2.451973 -0.659542
H -0.230783 4.095536 0.714744
H 1.138450 3.911214 -0.436444
H -2.164125 3.080111 1.894019
H -2.965741 -0.565153 -2.939566
H -3.046493 -2.337655 -3.352167
H -1.447105 -2.448478 3.025758
H -2.276323 0.974311 -2.046402
H -3.758429 -3.738607 1.402736
H 0.610865 2.481202 1.997334
H -2.014126 -4.558187 -1.425808
H -0.345946 4.909371 -2.014810
H -0.716405 -0.718809 -3.665095
H 1.998783 -2.936318 0.190893
H 5.370453 0.635917 1.034943
H 4.217938 -3.519458 1.158046
H 5.903437 -1.732166 1.578299
H 3.652589 3.000276 -1.277885


%chk=000186758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186758

0 1
O -0.323777 1.810830 0.445217
O -1.784523 -0.373903 -0.852416
O 0.163274 -0.965531 0.486489
O -3.076074 2.395862 2.148971
O -1.464611 -1.860073 2.548193
O -3.316115 2.005676 -1.437977
O -3.075345 -3.731138 1.204618
O -0.547959 2.311000 3.039166
O -2.753086 -3.932832 -1.720658
O 0.836609 4.112024 -1.342584
O -0.874870 -0.644360 -3.759674
O 0.973367 -0.022089 -1.526327
O 4.479502 1.164738 -2.200206
O 2.830239 2.184501 -0.935717
C -1.285014 0.931276 1.148232
C -1.240714 -0.492883 0.496425
C -2.681069 1.626691 0.979169
C -2.057920 -1.580132 1.246221
C -2.542152 2.512396 -0.307371
C -1.022363 2.592558 -0.630072
C -2.165318 -2.882537 0.430787
C -0.773223 0.914057 2.616683
C -1.739151 -1.628982 -1.671803
C -2.676926 -2.647849 -1.001662
C -0.441204 4.010889 -0.658977
C -2.049974 -1.207909 -3.107815
C 1.163845 -0.447798 -0.365862
C 2.514770 -0.681322 0.238327
C 3.666858 -0.015688 -0.277678
C 2.676572 -1.672830 1.239058
C 4.954123 -0.400848 0.165016
C 3.963541 -2.031674 1.693328
C 3.563881 1.196524 -1.151084
C 5.105345 -1.409710 1.141975
H -3.500060 0.906159 0.814921
H -3.088319 -1.182612 1.368240
H -2.983099 3.497663 -0.087245
H -0.810638 2.095011 -1.595207
H -1.157653 -3.354075 0.377162
H 0.158449 0.330256 2.698833
H -1.523900 0.501229 3.301308
H -0.698374 -2.016506 -1.653697
H -3.719854 -2.287144 -0.990683
H -1.125568 4.655437 -1.238777
H -0.389592 4.403612 0.382874
H -2.245942 2.717798 2.621253
H -2.906046 -0.498268 -3.115979
H -2.338395 -2.095396 -3.697133
H -1.987241 -2.607459 2.941991
H -2.975171 1.089157 -1.620230
H -3.324136 -4.511228 0.644361
H 0.050290 2.709128 2.348568
H -1.834489 -4.261874 -1.907609
H 1.482010 3.427801 -1.018559
H -0.341332 -0.123648 -3.098471
H 1.785964 -2.163342 1.640370
H 5.831008 0.105988 -0.248151
H 4.073141 -2.800676 2.464784
H 6.107424 -1.696509 1.476910
H 4.408683 2.005866 -2.729720


