%chk=000298311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298311

0 1
O -0.729843 0.049787 -2.089530
O 0.135597 -1.746916 -0.940628
O -1.637907 0.480632 1.102706
O 0.143555 1.714006 -0.126288
O -3.676059 -1.189327 -1.179525
O 1.193826 -1.322325 1.367005
O 1.320397 0.762322 2.167589
O -2.434405 -1.014795 2.609825
O 2.017381 3.028902 -0.085712
O -5.482785 -0.143360 -0.304649
C -0.413024 -0.448024 -0.781978
C -1.733535 -0.490494 0.044373
C 0.776796 0.418074 -0.230359
C -2.843617 -0.025992 -0.916685
C -2.148492 0.323279 -2.237980
C 1.975159 0.382727 -1.188506
C 1.138702 0.033656 1.220621
C 3.250847 -0.110357 -0.564479
C -0.580660 -2.636484 -1.829557
C -1.979959 0.079909 2.399356
C 0.826785 2.914411 0.028832
C 4.192614 0.800073 -0.064905
C 3.506585 -1.489123 -0.497944
C -5.008006 -1.145346 -0.775590
C -1.651851 1.197214 3.315192
C -0.209232 3.949092 0.302746
C 5.390472 0.332708 0.482658
C 4.705861 -1.949951 0.049270
C -5.624016 -2.467816 -1.048599
C 5.651042 -1.040176 0.536092
H -1.923715 -1.509806 0.464163
H -3.458857 0.799800 -0.491284
H -2.488466 -0.304528 -3.080998
H -2.209402 1.394847 -2.493914
H 2.127917 1.394617 -1.628431
H 1.716941 -0.260113 -2.065560
H -0.013755 -3.568469 -1.716676
H -0.523896 -2.252271 -2.853205
H -1.619271 -2.756927 -1.506787
H 3.979559 1.872827 -0.093096
H 2.753273 -2.193538 -0.855142
H 1.477558 -1.599691 2.283374
H -0.554687 1.381876 3.326232
H -1.969405 0.977781 4.345820
H -2.116720 2.144291 3.001603
H -0.205136 4.724449 -0.478754
H -0.004861 4.447230 1.264529
H -1.225094 3.521487 0.354875
H 6.120158 1.041557 0.869870
H 4.904763 -3.018510 0.097199
H -4.980810 -3.120702 -1.660489
H -6.589805 -2.354217 -1.567433
H -5.826258 -3.001577 -0.103084
H 6.586240 -1.400820 0.958539


%chk=000298311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298311

0 1
O -0.541308 -0.571669 -2.302421
O 0.491381 -2.009278 -0.757004
O -1.556896 -0.262233 1.177141
O -0.018370 1.571740 -0.645545
O -3.878414 -0.461093 -1.257443
O 1.521159 -0.899326 1.587866
O 0.950728 1.320413 1.890910
O -2.893174 -2.030808 1.917122
O 1.732714 3.121062 -0.336397
O -4.608518 0.623634 0.680276
C -0.226859 -0.781593 -0.867076
C -1.635557 -0.760431 -0.195916
C 0.780811 0.342082 -0.385668
C -2.524698 0.135040 -1.079475
C -1.832418 0.142307 -2.457320
C 2.090123 0.273583 -1.271923
C 1.066297 0.330766 1.138974
C 3.402261 -0.038126 -0.562371
C -0.204169 -3.225478 -1.212635
C -2.278114 -0.971796 2.163001
C 0.523575 2.868156 -0.482262
C 4.152421 0.988434 0.068521
C 3.916769 -1.359150 -0.564565
C -4.839170 -0.149367 -0.274566
C -2.211008 -0.235230 3.474281
C -0.600187 3.878592 -0.528787
C 5.389923 0.694679 0.684890
C 5.155236 -1.653185 0.047126
C -6.123375 -0.896708 -0.539444
C 5.897622 -0.625291 0.675171
H -2.053349 -1.784142 -0.185052
H -2.624771 1.131646 -0.622936
H -2.430159 -0.408373 -3.203259
H -1.630526 1.167349 -2.809090
H 2.172341 1.248969 -1.774841
H 1.900386 -0.484117 -2.047788
H 0.592655 -3.974172 -1.334463
H -0.709065 -3.050406 -2.178991
H -0.924468 -3.582071 -0.451766
H 3.757085 2.009472 0.072785
H 3.328565 -2.156423 -1.032854
H 1.801535 -0.806219 2.539257
H -1.277775 0.343040 3.558867
H -2.319478 -0.941436 4.311280
H -3.055109 0.478783 3.507448
H -0.186858 4.884861 -0.690507
H -1.135086 3.859978 0.437967
H -1.327235 3.632524 -1.320353
H 5.960600 1.497668 1.165793
H 5.541655 -2.679047 0.034444
H -6.287318 -1.040091 -1.618534
H -6.968491 -0.357044 -0.086455
H -6.056784 -1.894528 -0.067587
H 6.861362 -0.850047 1.146875


