%chk=000229161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229161

0 1
O 2.174532 -0.937525 -0.703714
O 2.896823 -1.348114 1.415611
C -3.325700 -2.286736 0.092410
C -1.838567 -1.960376 -0.078578
C -0.025789 -0.327232 0.158831
C 0.490041 1.026405 0.601323
C -1.367377 -0.694454 0.311575
C -3.799511 -1.843995 1.491701
C -4.101668 -1.518195 -0.995598
C -3.609185 -3.794077 -0.052566
C -0.939139 -2.874791 -0.646250
C 0.838427 -1.278492 -0.408858
C -0.457060 2.129005 0.165767
C 0.408459 -2.544191 -0.808907
C 0.761280 0.996976 2.109388
C -0.411505 2.557528 -1.172727
C -1.372995 2.724614 1.042994
C -1.263214 3.569045 -1.619457
C -2.223444 3.739857 0.592456
C 3.151703 -1.029418 0.284324
C 4.461226 -0.675406 -0.359438
C -2.171174 4.165329 -0.737102
C 5.363146 0.090278 0.617361
C 6.732830 0.366432 0.007882
H 1.475646 1.212515 0.087904
H -2.062058 0.030195 0.743146
H -3.734743 -0.758556 1.622106
H -3.194339 -2.307298 2.278654
H -4.842461 -2.127218 1.665772
H -3.776268 -1.812559 -1.999166
H -5.177305 -1.706719 -0.926645
H -3.951200 -0.436242 -0.911527
H -3.044857 -4.379940 0.681084
H -3.354418 -4.164369 -1.050940
H -4.671201 -4.010629 0.106585
H -1.277022 -3.858663 -0.969891
H 1.113362 -3.248907 -1.243449
H -0.139969 0.762790 2.686694
H 1.153494 1.954983 2.464688
H 1.501103 0.216656 2.352909
H 0.287151 2.092849 -1.867210
H -1.427623 2.403241 2.081576
H -1.221081 3.894388 -2.657451
H -2.928461 4.199187 1.283029
H 4.955848 -1.613795 -0.694706
H 4.294750 -0.086926 -1.288515
H -2.832329 4.955094 -1.085635
H 5.472360 -0.491143 1.557684
H 4.877810 1.043860 0.908295
H 7.262017 -0.560021 -0.244652
H 6.659735 0.963958 -0.908468
H 7.368923 0.922005 0.708302


%chk=000229161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229161

0 1
O 2.214713 -0.805602 -0.754246
O 2.981824 -1.397431 1.382963
C -3.326755 -2.360363 0.115880
C -1.839759 -1.983235 -0.090381
C -0.044652 -0.267957 0.111336
C 0.407325 1.123667 0.577582
C -1.384924 -0.690143 0.276062
C -3.699631 -2.202508 1.621239
C -4.219258 -1.409639 -0.738257
C -3.628784 -3.821150 -0.307024
C -0.893161 -2.878099 -0.652654
C 0.858039 -1.198145 -0.456723
C -0.555129 2.224832 0.099046
C 0.449418 -2.486513 -0.840441
C 0.642524 1.106196 2.111362
C -0.749992 2.407289 -1.297437
C -1.249954 3.081970 0.987972
C -1.607279 3.412918 -1.790114
C -2.114072 4.091060 0.498690
C 3.218638 -0.977090 0.233776
C 4.571643 -0.588246 -0.335096
C -2.296499 4.262186 -0.890815
C 5.548473 -0.067680 0.743363
C 6.952218 0.202309 0.163770
H 1.385735 1.323311 0.096902
H -2.093244 0.034960 0.694544
H -3.547855 -1.166487 1.972606
H -3.082795 -2.868652 2.251896
H -4.763790 -2.461371 1.778942
H -4.000148 -1.527649 -1.815535
H -5.289026 -1.640256 -0.574308
H -4.054787 -0.349440 -0.475671
H -3.039863 -4.548796 0.281844
H -3.420668 -3.988812 -1.380054
H -4.699011 -4.039881 -0.136949
H -1.193408 -3.885069 -0.954689
H 1.179392 -3.170679 -1.285112
H -0.294770 0.894511 2.658122
H 1.041618 2.075418 2.463248
H 1.365477 0.314889 2.371498
H -0.225108 1.747462 -1.999702
H -1.118753 2.972809 2.069432
H -1.739109 3.536432 -2.871279
H -2.641212 4.743430 1.204689
H 4.999356 -1.493669 -0.813810
H 4.424093 0.148624 -1.144162
H -2.963366 5.044982 -1.269732
H 5.605857 -0.807521 1.562543
H 5.140492 0.859862 1.189613
H 7.394645 -0.720821 -0.256537
H 6.916941 0.956934 -0.644550
H 7.637344 0.578053 0.944960


