%chk=000244809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244809

0 1
O -4.493537 1.075619 1.227355
O -5.419683 -1.247302 0.617730
O 5.730364 -0.332293 -0.219456
C -2.647422 0.847190 -0.442534
C -2.133207 -0.498762 0.168522
C -0.654542 -0.706935 -0.174423
C 0.147204 0.439799 0.510552
C -4.169691 0.751530 -0.131034
C -1.887677 1.999244 0.231303
C -3.172943 -1.540903 -0.270525
C -4.509390 -0.761117 -0.363263
C -0.370029 1.822054 0.048908
C -0.115511 -2.057781 0.314836
C -2.496762 0.936040 -1.967907
C 1.634429 0.267036 0.285728
C 1.332400 -2.239394 -0.151732
C 2.183400 -1.007309 0.005449
C 2.498369 1.360778 0.418250
C 3.563621 -1.155052 -0.156731
C 3.881799 1.236300 0.259923
C 4.398021 -0.030320 -0.030315
C 6.688907 0.746253 -0.107264
H -2.207875 -0.420485 1.285755
H -0.510569 -0.644922 -1.279743
H -0.018398 0.365072 1.618065
H -4.808256 1.445460 -0.706937
H -2.143000 2.054929 1.306328
H -2.204511 2.970932 -0.192432
H -2.914647 -2.003763 -1.235508
H -3.266323 -2.368189 0.454777
H -5.025554 -0.933364 -1.329092
H -0.102397 1.975738 -1.015224
H 0.154130 2.620159 0.610385
H -0.740674 -2.886345 -0.066950
H -0.171707 -2.120793 1.418358
H -1.439598 0.910598 -2.264790
H -2.989286 0.106715 -2.485741
H -2.917122 1.870245 -2.355675
H 1.345825 -2.538134 -1.223056
H 1.792953 -3.087816 0.396655
H -3.805814 0.723807 1.839436
H -5.543239 -0.582063 1.346078
H 2.091600 2.346254 0.655250
H 4.011299 -2.121184 -0.377146
H 4.520255 2.104703 0.364997
H 7.636192 0.226000 -0.299761
H 6.671263 1.167103 0.902010
H 6.497232 1.506166 -0.870008


%chk=000244809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244809

0 1
O -4.528210 1.000927 1.351061
O -5.555300 -1.292830 0.546039
O 5.849106 -0.368204 -0.177095
C -2.699672 0.850319 -0.420726
C -2.157906 -0.509382 0.138565
C -0.662855 -0.718450 -0.161551
C 0.146840 0.454416 0.476281
C -4.211435 0.731299 -0.074411
C -1.913399 2.013218 0.230669
C -3.197324 -1.553412 -0.340015
C -4.560644 -0.779121 -0.392509
C -0.382810 1.846266 0.021740
C -0.111979 -2.059423 0.367779
C -2.600810 0.955080 -1.969771
C 1.659424 0.265755 0.269968
C 1.333527 -2.271434 -0.124911
C 2.212886 -1.030479 0.023714
C 2.555163 1.358282 0.366063
C 3.608769 -1.181944 -0.115225
C 3.953023 1.213069 0.225638
C 4.482566 -0.075982 -0.018603
C 6.790455 0.748509 -0.082734
H -2.232716 -0.452307 1.253510
H -0.509813 -0.705247 -1.262631
H -0.048327 0.387623 1.573754
H -4.851009 1.435286 -0.630734
H -2.118137 2.048252 1.321665
H -2.243024 2.988248 -0.178491
H -2.928069 -1.946913 -1.338522
H -3.298815 -2.415839 0.339447
H -5.019743 -0.854336 -1.394293
H -0.116282 2.008730 -1.040802
H 0.125286 2.646103 0.592367
H -0.747022 -2.900207 0.030497
H -0.143454 -2.052925 1.477064
H -1.555041 0.959772 -2.316875
H -3.115784 0.124402 -2.483433
H -3.067310 1.899307 -2.308171
H 1.306271 -2.555677 -1.197864
H 1.803191 -3.122873 0.403890
H -3.724708 0.826680 1.904905
H -5.564059 -0.645228 1.308739
H 2.164070 2.362762 0.558289
H 4.044105 -2.170218 -0.302449
H 4.600160 2.091287 0.308818
H 7.783552 0.302023 -0.239315
H 6.750861 1.227877 0.915224
H 6.596299 1.508434 -0.865150


