%chk=000271902.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271902

0 1
O -3.144828 1.675063 -0.722424
O 3.555973 3.883001 0.431748
O -5.148558 0.988421 0.164458
O -4.586573 -0.192771 2.007338
C 1.191323 -1.995627 -0.630103
C 2.227819 -1.635778 0.475754
C 0.694391 -3.451020 -0.476041
C 3.492080 -2.517590 0.360794
C 0.021650 -1.034069 -0.601472
C 2.596492 -0.168799 0.407174
C -0.120078 -3.908142 -1.682447
C 4.411215 -2.358135 1.568032
C -0.794895 -0.917681 0.531953
C -0.258025 -0.246970 -1.734197
C 3.216580 0.373444 -0.724530
C 2.316579 0.669263 1.504767
C -1.877793 -0.033277 0.554299
C -1.330675 0.640110 -1.739686
C 3.564157 1.728125 -0.781107
C 2.651487 2.017473 1.477173
C -2.125773 0.734524 -0.583924
C 3.276236 2.535106 0.323808
C -4.054189 1.921103 0.336397
C 4.175831 4.534818 -0.701172
C -5.295290 -0.075127 1.035662
C -6.421110 -0.926827 0.573499
H 1.706782 -1.912583 -1.620092
H 1.754474 -1.845599 1.468274
H 0.088723 -3.551163 0.445159
H 1.566424 -4.124664 -0.336674
H 4.044841 -2.272339 -0.566146
H 3.190568 -3.581634 0.258590
H -0.989930 -3.258266 -1.845755
H 0.473194 -3.895275 -2.603153
H -0.493964 -4.928547 -1.544610
H 4.723705 -1.313081 1.695698
H 5.318936 -2.961280 1.458423
H 3.920062 -2.665882 2.497572
H -0.590349 -1.522515 1.415305
H 0.372463 -0.326298 -2.619369
H 3.436326 -0.263072 -1.581044
H 1.827084 0.258739 2.388030
H -2.505305 0.035018 1.444739
H -1.560585 1.256359 -2.605392
H 4.042454 2.126486 -1.668054
H 2.440749 2.677652 2.314563
H -3.609050 1.846204 1.339849
H -4.500225 2.894759 0.058689
H 5.159660 4.100178 -0.898661
H 3.522042 4.479939 -1.576259
H 4.267348 5.568583 -0.343664
H -6.052664 -1.917761 0.259015
H -7.150336 -1.091964 1.382201
H -6.955255 -0.487631 -0.286084


%chk=000271902-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271902

0 1
O -3.360606 1.769557 -0.431900
O 4.017682 3.954988 0.100982
O -5.415343 0.684425 0.167148
O -5.046019 -0.536871 2.132603
C 1.161746 -1.854560 -0.617869
C 2.181407 -1.519904 0.542863
C 0.729386 -3.350345 -0.641540
C 3.358253 -2.535744 0.629630
C -0.048139 -0.918022 -0.544106
C 2.687067 -0.080170 0.403736
C -0.257781 -3.686773 -1.780716
C 4.361479 -2.218943 1.760536
C -0.998699 -1.026731 0.501056
C -0.255862 0.091210 -1.518046
C 3.518288 0.304510 -0.676443
C 2.335864 0.917954 1.349491
C -2.121237 -0.172179 0.585268
C -1.364088 0.959013 -1.454997
C 3.987842 1.629886 -0.821861
C 2.789505 2.244730 1.225774
C -2.293696 0.824814 -0.401364
C 3.618433 2.606400 0.136075
C -4.398421 1.709172 0.548315
C 4.865615 4.377172 -1.014155
C -5.628560 -0.405224 1.032832
C -6.637075 -1.353760 0.429307
H 1.685498 -1.653381 -1.576791
H 1.619976 -1.589925 1.498802
H 0.278716 -3.624308 0.334676
H 1.627598 -3.984612 -0.758987
H 3.892872 -2.569470 -0.342203
H 2.950520 -3.549938 0.797102
H -1.205470 -3.130795 -1.673191
H 0.173259 -3.425473 -2.766200
H -0.493045 -4.767152 -1.791329
H 4.847469 -1.239617 1.606904
H 5.151829 -2.990502 1.813553
H 3.852974 -2.189238 2.743285
H -0.879363 -1.799507 1.270466
H 0.466177 0.205601 -2.335083
H 3.817361 -0.440612 -1.424571
H 1.687587 0.652231 2.193271
H -2.836129 -0.307253 1.403397
H -1.522513 1.740437 -2.204334
H 4.630974 1.884735 -1.669875
H 2.513783 3.013913 1.953756
H -4.034737 1.490184 1.568465
H -4.920849 2.672577 0.477455
H 5.831214 3.833802 -1.017533
H 4.356839 4.231126 -1.987473
H 5.046068 5.449692 -0.848814
H -6.194827 -1.846537 -0.454972
H -6.921134 -2.115569 1.169191
H -7.527491 -0.802015 0.085317


