%chk=000236092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236092

0 1
O 3.914456 0.751385 0.474805
O 3.270219 -2.343509 0.542043
O -0.028173 -1.580458 0.190579
O -0.682288 -1.746855 -1.966503
C 2.521191 2.495922 -0.275279
C 3.278566 1.967793 0.943300
C 1.218086 1.722616 -0.512548
C 4.118210 -0.255061 1.492030
C 4.439385 -1.521167 0.693416
C 0.558544 2.109551 -1.831841
C 2.306446 -1.845055 -0.421885
C 1.017908 -2.569501 -0.044306
C -1.853075 -0.250061 -0.462533
C -3.804053 1.635136 0.241579
C -0.840662 -1.243372 -0.876424
C -2.797174 0.174162 -1.414788
C -1.889199 0.269058 0.840452
C -3.765474 1.110903 -1.064014
C -2.859984 1.207533 1.189871
C -4.848277 2.637184 0.605273
H 2.316546 3.575467 -0.154024
H 3.176474 2.404155 -1.167816
H 2.615071 1.759236 1.797916
H 4.088486 2.648038 1.259502
H 0.514269 1.891362 0.324891
H 1.442876 0.626571 -0.504751
H 3.203096 -0.383157 2.097434
H 4.956559 0.062729 2.133834
H 4.865774 -1.269078 -0.295680
H 5.120557 -2.197712 1.242378
H 1.200014 1.873685 -2.689121
H -0.385710 1.569381 -1.974646
H 0.332826 3.180491 -1.874768
H 2.672744 -2.104208 -1.429009
H 2.198068 -0.734996 -0.338574
H 0.683050 -3.288735 -0.812029
H 1.102331 -3.061335 0.946105
H -2.761585 -0.239096 -2.427232
H -1.153561 -0.069553 1.575710
H -4.495999 1.437865 -1.801904
H -2.884716 1.606661 2.202054
H -5.859149 2.214252 0.501537
H -4.756785 2.997533 1.638543
H -4.801288 3.521138 -0.048277


%chk=000236092-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236092

0 1
O 4.127347 0.448369 -0.183692
O 3.017682 -2.278902 0.798533
O -0.586479 -1.426741 0.958692
O -0.993182 -2.339853 -1.153221
C 3.810246 2.840418 -0.493730
C 4.687135 1.766011 0.157538
C 2.368124 2.882354 0.059815
C 4.894812 -0.656708 0.398641
C 4.220058 -1.977037 0.019480
C 1.511709 3.982714 -0.601875
C 1.825199 -1.514293 0.400533
C 0.650796 -2.247081 1.059688
C -2.551142 -0.712407 -0.213777
C -4.911082 0.889494 -0.295204
C -1.332702 -1.568314 -0.220865
C -3.417000 -0.766677 -1.337863
C -2.868979 0.147027 0.868138
C -4.579432 0.024333 -1.374038
C -4.036582 0.936551 0.821697
C -6.170980 1.734291 -0.342713
H 4.296840 3.825479 -0.337667
H 3.785673 2.663028 -1.586836
H 4.705316 1.889978 1.264791
H 5.734627 1.831143 -0.215147
H 2.404340 3.046505 1.156702
H 1.896448 1.894052 -0.096197
H 4.939857 -0.561579 1.506124
H 5.937505 -0.646714 0.002596
H 3.990647 -1.970612 -1.067578
H 4.909441 -2.812185 0.237869
H 1.442291 3.825471 -1.694819
H 0.482959 3.989292 -0.197583
H 1.948596 4.985885 -0.434063
H 1.718705 -1.506473 -0.703024
H 1.891151 -0.469089 0.757246
H 0.484671 -3.229714 0.587566
H 0.825757 -2.359630 2.140866
H -3.157554 -1.433964 -2.166528
H -2.200214 0.186449 1.732260
H -5.241930 -0.025472 -2.246725
H -4.275566 1.598260 1.662559
H -7.075126 1.098760 -0.396263
H -6.263213 2.377301 0.548878
H -6.182168 2.387178 -1.235504


