%chk=000229154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229154

0 1
O 4.662535 0.796508 -0.836688
O 3.926409 -1.319907 -0.312757
C 3.531145 -0.086013 -0.941237
C 2.318795 0.507917 -0.224600
C 5.548516 0.345496 0.217196
C 5.167156 -1.145984 0.422537
C 1.014339 -0.119169 -0.725130
C -0.203620 0.471027 -0.002321
C -1.510100 -0.158152 -0.504805
C -2.729748 0.430794 0.216831
C -4.036163 -0.198905 -0.285225
C 5.348612 1.200662 1.457007
C 6.178519 -2.117925 -0.159846
C -5.256334 0.390081 0.435594
C -6.562348 -0.239887 -0.066498
C -7.783973 0.348215 0.653723
C -9.086803 -0.275346 0.157713
H 3.395068 -0.289904 -2.019371
H 2.420922 0.356536 0.867709
H 2.315668 1.605595 -0.379869
H 6.558159 0.489138 -0.223525
H 4.910452 -1.394061 1.473398
H 0.913090 0.032761 -1.817329
H 1.051083 -1.217263 -0.571457
H -0.106175 0.313482 1.089269
H -0.233502 1.568134 -0.147653
H -1.479805 -1.255333 -0.358449
H -1.607808 -0.002850 -1.596607
H -2.760396 1.527709 0.070463
H -2.632552 0.275025 1.308576
H -4.005927 -1.295838 -0.138469
H -4.133437 -0.044050 -1.377103
H 5.439865 2.266625 1.204089
H 6.089087 0.975460 2.231282
H 4.350032 1.070331 1.892088
H 5.773868 -3.140215 -0.154604
H 7.116017 -2.122071 0.404180
H 6.406158 -1.885032 -1.208724
H -5.159204 0.235034 1.527419
H -5.286785 1.486905 0.288592
H -6.660933 -0.085721 -1.158182
H -6.533381 -1.336731 0.079681
H -7.815295 1.445512 0.506409
H -7.687593 0.192599 1.746075
H -9.231967 -0.106651 -0.915366
H -9.104598 -1.358454 0.323806
H -9.952547 0.150515 0.676880


%chk=000229154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229154

0 1
O 4.767562 1.009944 -0.350631
O 3.843014 -1.060861 0.294005
C 3.600568 0.116271 -0.549586
C 2.307382 0.803698 -0.129604
C 5.827576 0.247437 0.375279
C 5.321363 -1.224974 0.338737
C 1.052654 -0.056700 -0.399236
C -0.252978 0.663666 0.004196
C -1.522607 -0.174124 -0.266614
C -2.827429 0.554225 0.127296
C -4.102299 -0.275101 -0.145888
C 5.994024 0.817217 1.788672
C 5.844350 -2.035702 -0.856625
C -5.404984 0.464672 0.234373
C -6.683191 -0.359334 -0.039607
C -7.984484 0.388541 0.331265
C -9.257560 -0.439899 0.053674
H 3.580504 -0.184655 -1.621245
H 2.386266 1.051949 0.945648
H 2.239495 1.759419 -0.685499
H 6.759242 0.362887 -0.210477
H 5.521588 -1.748614 1.289457
H 1.006990 -0.319860 -1.477197
H 1.141432 -1.011153 0.155032
H -0.209002 0.923812 1.082461
H -0.326001 1.626360 -0.544657
H -1.455121 -1.133140 0.288299
H -1.562980 -0.440773 -1.343710
H -2.890406 1.514600 -0.426546
H -2.787506 0.820031 1.204603
H -4.046238 -1.231125 0.415838
H -4.137674 -0.548970 -1.221363
H 6.150937 1.908498 1.741483
H 6.865323 0.362039 2.297134
H 5.089012 0.621671 2.390849
H 5.323805 -3.006803 -0.917091
H 6.928169 -2.228258 -0.747047
H 5.688948 -1.494690 -1.807403
H -5.369790 0.738928 1.309808
H -5.458677 1.420891 -0.327547
H -6.716750 -0.639401 -1.113598
H -6.635700 -1.312548 0.527854
H -8.030064 1.340756 -0.235962
H -7.950094 0.667999 1.404300
H -9.331872 -0.704786 -1.018146
H -9.249533 -1.383836 0.631152
H -10.172763 0.116397 0.328569


