%chk=000239640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239640

0 1
O -0.394672 0.002403 -0.651169
O 1.523694 0.928108 0.107275
O -2.353637 -0.701053 0.302040
O -2.664640 -2.578230 -0.915859
C -0.389188 2.236358 0.438492
C -1.918651 2.218183 0.402481
C 0.155513 0.809678 0.443138
C -2.419292 1.410084 -0.799321
C -1.778543 0.025759 -0.848372
C 2.257238 -0.333755 0.041478
C 3.707935 0.109522 -0.217305
C 4.374967 0.581952 1.077625
C 4.490623 -1.038892 -0.860453
C -2.699699 -2.025049 0.157468
C -3.123191 -2.570477 1.476867
H 0.020397 2.777115 -0.441621
H -0.014800 2.784738 1.323151
H -2.310431 3.251730 0.356855
H -2.317324 1.774107 1.337971
H -0.007599 0.227992 1.368334
H -3.521946 1.309475 -0.760667
H -2.184042 1.941887 -1.744152
H -1.934864 -0.558717 -1.781304
H 1.833445 -0.921365 -0.791822
H 2.128766 -0.876719 0.989523
H 3.670530 0.973410 -0.932254
H 5.371249 0.993196 0.884660
H 4.489350 -0.230468 1.802070
H 3.777103 1.370624 1.552286
H 5.529867 -0.746724 -1.050479
H 4.055870 -1.335280 -1.821911
H 4.516303 -1.926520 -0.219180
H -3.176265 -1.793391 2.255174
H -2.415107 -3.341003 1.821188
H -4.111960 -3.049376 1.403093


%chk=000239640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239640

0 1
O -0.501454 0.231900 -0.904406
O 1.553970 1.007095 -0.052149
O -2.355893 -0.675890 0.336532
O -2.666915 -2.504240 -1.096086
C -0.384615 2.347875 0.423054
C -1.922742 2.306869 0.591012
C 0.167246 0.932613 0.253254
C -2.573887 1.568920 -0.600917
C -1.935936 0.194131 -0.830372
C 2.245462 -0.303900 -0.092168
C 3.746586 -0.040373 -0.285134
C 4.338045 0.756876 0.898953
C 4.486391 -1.383441 -0.492063
C -2.640831 -2.026132 0.057683
C -2.899928 -2.780309 1.344465
H -0.103871 2.932089 -0.473153
H 0.100014 2.817138 1.298286
H -2.322985 3.334060 0.664642
H -2.183903 1.786215 1.532404
H -0.022311 0.296780 1.148393
H -3.660309 1.440045 -0.450174
H -2.427833 2.155516 -1.528454
H -2.267049 -0.304924 -1.755437
H 1.831062 -0.901997 -0.925239
H 2.060566 -0.843470 0.864736
H 3.851767 0.567849 -1.205951
H 5.400635 1.002596 0.717432
H 4.282360 0.166048 1.834632
H 3.782817 1.698282 1.051350
H 5.565389 -1.210747 -0.656612
H 4.092869 -1.935322 -1.366145
H 4.383572 -2.034382 0.397968
H -3.537379 -2.188813 2.021631
H -1.941351 -2.962065 1.863624
H -3.372558 -3.747591 1.119708


