%chk=000186935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186935

0 1
O -0.529099 0.846461 -0.487211
O 5.201127 0.004413 -0.179934
O 4.454056 1.577904 1.265504
O -1.228602 2.704521 -1.577277
O -2.391932 -1.859209 0.547875
O -2.404887 -1.150296 -1.605500
C 1.824660 0.786677 -0.127295
C 1.756539 -0.541031 0.649839
C 2.235626 -1.763001 -0.141452
C 3.196997 1.042404 -0.778371
C 0.741205 0.846942 -1.215025
C 1.885557 -3.067996 0.586441
C 4.295333 0.957052 0.243078
C 2.387665 -4.292815 -0.172691
C -1.458489 1.806801 -0.802997
C -2.700712 1.563337 -0.012969
C -3.239298 0.282125 0.187199
C -3.339584 2.683069 0.538406
C 6.351326 -0.237553 0.672453
C -4.398113 0.123689 0.958266
C -4.501315 2.520836 1.299081
C -5.026858 1.243308 1.512535
C -2.626738 -0.928981 -0.439857
C -1.785705 -3.116385 0.144193
H 1.624199 1.613476 0.606980
H 0.703059 -0.689426 0.975540
H 2.344150 -0.447538 1.584865
H 3.332161 -1.703748 -0.300884
H 1.782021 -1.768015 -1.151504
H 3.383194 0.322745 -1.606429
H 3.223967 2.053454 -1.241067
H 0.810800 1.746075 -1.853996
H 0.689265 -0.063959 -1.838422
H 0.779346 -3.135409 0.718714
H 2.311686 -3.058033 1.608472
H 1.953234 -4.354226 -1.177066
H 3.477612 -4.273286 -0.291827
H 2.134088 -5.219470 0.353931
H -2.928148 3.681260 0.364495
H 6.773334 0.710025 1.024808
H 6.033473 -0.857475 1.515995
H 7.040213 -0.770567 0.009391
H -4.802664 -0.876417 1.128879
H -4.996002 3.394437 1.725576
H -5.929215 1.116559 2.112096
H -2.263933 -3.853791 0.795599
H -1.968133 -3.328137 -0.915730
H -0.702469 -3.030209 0.347896


%chk=000186935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186935

0 1
O -0.333284 1.154764 -0.169451
O 5.721743 0.351707 -0.319336
O 4.653692 1.365269 1.484229
O -1.377661 2.197915 -1.976573
O -2.883580 -2.215531 0.677509
O -1.686817 -1.213276 -1.048343
C 2.077021 0.850086 0.081765
C 1.901578 -0.551920 0.727623
C 1.893649 -1.756255 -0.243026
C 3.437272 1.018782 -0.646978
C 0.959860 1.203635 -0.909925
C 1.821854 -3.104363 0.511790
C 4.618594 0.944733 0.305497
C 1.767904 -4.322929 -0.434678
C -1.443069 1.608358 -0.872568
C -2.710507 1.412755 -0.086115
C -3.174140 0.139644 0.355838
C -3.463281 2.571746 0.215922
C 6.958729 0.278925 0.497644
C -4.358690 0.061248 1.133113
C -4.642565 2.483308 0.986404
C -5.085015 1.225358 1.455992
C -2.489892 -1.113158 -0.088456
C -2.310936 -3.516869 0.260892
H 2.048512 1.594527 0.901917
H 0.950068 -0.546208 1.293000
H 2.707486 -0.688040 1.476971
H 2.804725 -1.756983 -0.875976
H 1.024343 -1.685392 -0.926267
H 3.577029 0.276768 -1.451014
H 3.478265 2.018616 -1.127440
H 1.086985 2.220009 -1.327547
H 0.886485 0.487751 -1.749400
H 0.930219 -3.100657 1.173532
H 2.698850 -3.194772 1.185031
H 0.890618 -4.265210 -1.107296
H 2.670166 -4.365877 -1.073381
H 1.707032 -5.273860 0.126647
H -3.112653 3.541092 -0.152288
H 7.282906 1.291384 0.791680
H 6.781116 -0.320672 1.406117
H 7.699166 -0.201149 -0.157144
H -4.703709 -0.922240 1.462137
H -5.210567 3.390380 1.218571
H -5.997745 1.150641 2.056236
H -2.735691 -4.246950 0.963831
H -2.601034 -3.746562 -0.778369
H -1.211031 -3.489933 0.332284


