%chk=000251349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251349

0 1
O -2.321546 1.806823 -0.593259
O 1.667043 3.516991 -1.016787
O 1.717600 -3.463784 1.001930
O -2.295309 -1.809003 0.586245
O -1.153833 3.177718 0.772426
O 1.983633 1.996281 0.622010
O 2.009376 -1.939225 -0.637894
O -1.111604 -3.163969 -0.781566
C 0.066527 0.249505 -0.735076
C 0.071301 -0.218992 0.723332
C 0.035467 1.785245 -0.890452
C 0.061763 -1.755009 0.878750
C -0.112812 2.160048 -2.368402
C -0.078328 -2.131810 2.356989
C -1.158297 2.362766 -0.117199
C 1.325847 2.395469 -0.308553
C 1.359272 -2.347340 0.294201
C -1.125478 -2.348999 0.107941
C -3.562968 2.142319 0.113346
C 2.865300 4.252168 -0.597879
C 2.925136 -4.182279 0.580672
C -3.533407 -2.161628 -0.117858
C -3.641999 1.333323 1.390273
C 4.104222 3.537504 -1.092569
C 4.154994 -3.450170 1.072430
C -3.626146 -1.353849 -1.394637
H 0.963871 -0.154059 -1.262661
H -0.813616 -0.170322 -1.268469
H -0.813434 0.188648 1.258587
H 0.964097 0.196916 1.249028
H -1.063454 1.794462 -2.779422
H -0.078706 3.250445 -2.514168
H 0.700326 1.735620 -2.971828
H -0.028885 -3.221628 2.502660
H 0.730098 -1.696191 2.958769
H -1.033083 -1.779361 2.769952
H -3.584562 3.232196 0.291971
H -4.315553 1.851930 -0.641353
H 2.689360 5.223942 -1.094119
H 2.842565 4.359983 0.501393
H 2.763869 -5.156228 1.077651
H 2.901490 -4.290823 -0.518508
H -3.540315 -3.251707 -0.296421
H -4.288407 -1.881613 0.638342
H -4.659760 1.312058 1.794754
H -2.985289 1.748743 2.169008
H -3.321409 0.291347 1.225006
H 5.008020 4.132568 -0.916931
H 4.046899 3.322900 -2.167268
H 4.238665 2.573618 -0.577206
H 5.066636 -4.032686 0.895211
H 4.096936 -3.235821 2.147145
H 4.274958 -2.484756 0.556349
H -4.644921 -1.346592 -1.797052
H -2.965375 -1.760232 -2.174703
H -3.319574 -0.307557 -1.230031


%chk=000251349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251349

0 1
O -2.239771 1.966114 -0.618429
O 1.478806 3.802236 -0.965952
O 1.533130 -3.751183 0.947949
O -2.210072 -1.969599 0.612587
O -0.868624 3.113090 0.870404
O 2.368493 1.968730 0.153407
O 2.398471 -1.901949 -0.164657
O -0.825247 -3.092635 -0.881798
C 0.230465 0.238118 -0.744831
C 0.234233 -0.204397 0.733461
C 0.148960 1.784661 -0.981301
C 0.176209 -1.751987 0.969901
C -0.089216 2.048908 -2.497312
C -0.055132 -2.019895 2.486329
C -0.998156 2.382351 -0.137902
C 1.449803 2.484115 -0.520442
C 1.486572 -2.432054 0.507009
C -0.963468 -2.365951 0.128283
C -3.437846 2.437660 0.149657
C 2.644670 4.630394 -0.528143
C 2.709972 -4.562265 0.507577
C -3.402656 -2.456737 -0.154418
C -3.667945 1.592359 1.406147
C 3.821288 4.464298 -1.493820
C 3.883956 -4.384414 1.474355
C -3.646780 -1.612788 -1.409169
H 1.148773 -0.131540 -1.232460
H -0.636390 -0.203786 -1.270706
H -0.639028 0.224401 1.259597
H 1.147151 0.178929 1.220702
H -1.040701 1.587820 -2.807535
H -0.122202 3.128039 -2.713667
H 0.730686 1.598619 -3.085029
H -0.073130 -3.099442 2.702442
H 0.759876 -1.558740 3.072445
H -1.012082 -1.571746 2.798726
H -3.288578 3.501541 0.405077
H -4.258001 2.334223 -0.579095
H 2.244831 5.656885 -0.529981
H 2.919312 4.329673 0.497879
H 2.323618 -5.593909 0.505373
H 2.981078 -4.254170 -0.517203
H -3.238780 -3.517991 -0.411824
H -4.222988 -2.366078 0.575829
H -4.633689 1.873150 1.866570
H -2.870226 1.765352 2.146912
H -3.697569 0.516605 1.161843
H 4.640765 5.148109 -1.203646
H 3.520154 4.706578 -2.527849
H 4.207723 3.431915 -1.465000
H 4.712376 -5.056417 1.181995
H 3.585642 -4.634414 2.507361
H 4.256911 -3.346979 1.449478
H -4.609439 -1.906336 -1.868085
H -2.848194 -1.773659 -2.151711
H -3.690815 -0.537908 -1.163235


