%chk=000196784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196784

0 1
O -1.291268 1.324629 0.328844
O -2.485291 -0.163460 -1.063946
O -1.172874 -0.396469 -1.533814
O 1.085185 1.295453 2.124028
C -2.517890 1.140367 -0.405408
C -0.392088 -0.846826 -0.388355
C -0.625211 0.150040 0.794211
C -2.541630 2.280425 -1.422533
C -3.740960 1.008497 0.506831
C -2.978687 3.600383 -0.780697
C -4.124644 2.367876 1.102108
C -4.282127 3.436021 0.012022
C 1.053419 -0.621127 -0.806197
C 0.803489 0.668266 1.143454
C -0.674405 -2.285081 -0.025357
C 1.720527 0.181293 0.044905
C 3.128552 0.572751 -0.021518
C 0.076017 -2.906884 0.984809
C -1.678437 -3.000695 -0.689019
C -0.181878 -4.236377 1.325878
C -1.932868 -4.331391 -0.344154
C 4.062584 -0.261284 -0.663564
C 3.562243 1.782773 0.548931
C -1.186216 -4.950418 0.662389
C 5.404481 0.117744 -0.741252
C 4.905172 2.155834 0.465041
C 5.828177 1.326937 -0.180763
H -1.163730 -0.279442 1.657031
H -3.222668 1.996847 -2.249664
H -1.534149 2.385138 -1.876236
H -3.534935 0.279329 1.313379
H -4.583971 0.586824 -0.077639
H -3.099884 4.373889 -1.561593
H -2.174529 3.962613 -0.106976
H -3.343072 2.684066 1.824120
H -5.061749 2.269334 1.680954
H -4.567437 4.401458 0.470700
H -5.110059 3.164510 -0.670060
H 1.423017 -1.093696 -1.704588
H 0.862775 -2.359246 1.501878
H -2.261108 -2.507855 -1.472744
H 0.400867 -4.717927 2.109711
H -2.714949 -4.884379 -0.862312
H 3.744631 -1.208073 -1.096255
H 2.849294 2.427711 1.068822
H -1.384782 -5.986776 0.930338
H 6.122507 -0.531819 -1.239502
H 5.233257 3.095634 0.907611
H 6.874302 1.620882 -0.244351


%chk=000196784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196784

0 1
O -1.354036 1.345714 0.248412
O -2.677018 -0.264438 -0.969323
O -1.285699 -0.493408 -1.602027
O 0.959537 1.211860 2.225092
C -2.654788 1.117001 -0.432602
C -0.446342 -0.885093 -0.433222
C -0.706629 0.123695 0.743708
C -2.757687 2.179523 -1.531971
C -3.827045 1.148198 0.567557
C -2.926810 3.594049 -0.925487
C -3.986488 2.572467 1.158566
C -4.130155 3.639335 0.046803
C 0.989473 -0.594841 -0.829479
C 0.710116 0.597226 1.159172
C -0.657565 -2.356796 -0.051771
C 1.667137 0.194646 0.070831
C 3.092332 0.581620 0.017803
C 0.040860 -2.902590 1.056918
C -1.534355 -3.184577 -0.793541
C -0.142757 -4.253849 1.423086
C -1.713184 -4.537436 -0.427452
C 4.008414 -0.134425 -0.805401
C 3.578268 1.684397 0.776098
C -1.020770 -5.077143 0.680694
C 5.361191 0.249373 -0.883757
C 4.934626 2.065954 0.695291
C 5.830991 1.355193 -0.134566
H -1.266918 -0.326431 1.582773
H -3.638969 1.928045 -2.153444
H -1.859699 2.115924 -2.170108
H -3.650986 0.405111 1.366808
H -4.750191 0.850496 0.033572
H -3.059602 4.329979 -1.740809
H -2.002060 3.868159 -0.382882
H -3.096324 2.803844 1.774372
H -4.865925 2.587941 1.829734
H -4.215111 4.645037 0.500702
H -5.068467 3.459608 -0.518643
H 1.405578 -1.032122 -1.741141
H 0.739098 -2.282163 1.632203
H -2.072950 -2.760609 -1.645339
H 0.401796 -4.663678 2.280966
H -2.396971 -5.168793 -1.005942
H 3.665239 -1.007254 -1.372652
H 2.892155 2.230530 1.428224
H -1.161215 -6.126861 0.961572
H 6.051624 -0.315367 -1.519915
H 5.291380 2.918711 1.283207
H 6.883899 1.652536 -0.193194


