%chk=000252471.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252471

0 1
O 0.472717 2.351043 0.413492
O 2.246905 -2.153594 -0.614774
O 5.025710 1.625966 0.092815
O 4.628872 -1.183223 -0.473853
O -0.664929 -1.235539 -1.114908
O -6.724153 -0.573031 0.434991
C 1.115603 0.060073 -0.214157
C 1.443992 1.393822 0.134835
C -1.271334 0.732906 0.050010
C -0.296617 -0.266167 -0.478084
C 2.217504 -0.813288 -0.374656
C -2.693602 0.368110 0.129518
C 2.734244 1.898412 0.231560
C 3.550375 -0.333761 -0.285527
C 3.813736 1.024703 -0.005611
C -0.847980 1.956601 0.423149
C -3.324531 -0.275829 -0.949650
C -3.429813 0.662653 1.294414
C -4.678389 -0.606445 -0.885712
C -4.780756 0.341108 1.380754
C -5.387884 -0.289293 0.281224
C 1.103493 -3.001797 -0.321403
C 6.218522 0.818779 -0.133292
H 2.918627 2.942081 0.483887
H -1.435119 2.807464 0.763361
H -2.741962 -0.532307 -1.840316
H -2.938464 1.137396 2.143619
H -5.162510 -1.102148 -1.720783
H -5.368232 0.559221 2.269503
H 4.306872 -2.127018 -0.548352
H 0.420890 -2.971254 -1.186091
H 0.596786 -2.686849 0.592743
H 1.580950 -3.982019 -0.210468
H 7.012899 1.564951 -0.022266
H 6.193381 0.388837 -1.140922
H 6.281284 0.030907 0.624905
H -7.102387 -1.023270 -0.359355


%chk=000252471-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252471

0 1
O 0.450638 2.218141 0.786758
O 2.200063 -2.154737 -0.900459
O 5.099600 1.535865 0.288237
O 4.597380 -1.238133 -0.678530
O -0.683076 -1.467491 -0.823713
O -6.984815 -0.259301 0.101663
C 1.107149 -0.002857 -0.080805
C 1.448684 1.299982 0.403943
C -1.316624 0.632993 0.191276
C -0.318223 -0.368022 -0.278107
C 2.227539 -0.830944 -0.412018
C -2.777510 0.356381 0.151986
C 2.760210 1.782472 0.505366
C 3.565218 -0.357903 -0.332868
C 3.843568 0.965844 0.121666
C -0.877242 1.848820 0.667419
C -3.374809 -0.365420 -0.917429
C -3.628143 0.835078 1.190553
C -4.766907 -0.581142 -0.958342
C -5.019227 0.628612 1.159045
C -5.591006 -0.079710 0.077640
C 1.511742 -3.206681 -0.107587
C 6.283488 0.994388 -0.415773
H 2.950272 2.795223 0.865749
H -1.532322 2.665242 0.977565
H -2.741689 -0.764843 -1.711685
H -3.192144 1.348932 2.055413
H -5.205626 -1.139326 -1.795893
H -5.668887 0.989212 1.961758
H 4.134403 -2.072165 -0.987725
H 0.425068 -3.091464 -0.233917
H 1.805454 -3.133769 0.956339
H 1.864463 -4.156032 -0.539264
H 7.074646 1.731139 -0.210764
H 6.093730 0.923552 -1.500633
H 6.555980 0.002333 -0.025916
H -7.286344 -0.776066 -0.686350


