%chk=000186077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186077

0 1
O -0.966361 2.136761 -0.283973
O -0.489045 -2.193107 1.884242
C -2.436762 1.998804 -0.438813
C -2.381856 -0.156096 0.795607
C -3.004078 1.255442 0.774199
C -2.773128 -0.896433 -0.471913
C -2.681448 1.247875 -1.763761
C -0.883931 -0.025397 0.848299
C -2.906364 -0.227534 -1.624823
C -2.977551 -2.390427 -0.329929
C -0.267830 1.126897 0.318980
C -2.865154 3.459886 -0.505461
C -0.027849 -0.995743 1.396169
C 1.119245 1.339002 0.387996
C -4.475092 -2.709677 -0.245479
C -2.301326 -3.172101 -1.460967
C 1.926176 0.365307 0.988008
C 1.358565 -0.814498 1.490312
C 3.413586 0.576412 1.079773
C 4.115996 0.004792 -0.162104
C 5.634022 0.209575 -0.090892
C 6.334211 -0.362033 -1.331900
C 7.846848 -0.162330 -1.269178
H -2.753660 -0.694770 1.700874
H -4.105061 1.196845 0.714129
H -2.765798 1.794314 1.710210
H -1.798666 1.415499 -2.423439
H -3.542493 1.699235 -2.297443
H -3.181135 -0.729044 -2.551848
H -2.495248 -2.725285 0.637929
H -2.557934 4.002679 0.399092
H -2.385904 3.976191 -1.348221
H -3.949239 3.562844 -0.611144
H 1.540392 2.248946 -0.026687
H -4.997401 -2.422206 -1.165613
H -4.953867 -2.172480 0.580264
H -4.647064 -3.780594 -0.093355
H -1.244939 -2.890299 -1.558029
H -2.777724 -2.987506 -2.429865
H -2.341219 -4.251382 -1.278933
H 1.968516 -1.592026 1.939126
H 3.646055 1.655782 1.184314
H 3.816105 0.099650 1.996792
H 3.707804 0.485077 -1.073319
H 3.879976 -1.073502 -0.258515
H -1.447450 -2.362285 1.625116
H 5.867066 1.287245 0.007628
H 6.038745 -0.269419 0.821382
H 5.931368 0.117550 -2.245546
H 6.103400 -1.440972 -1.430516
H 8.283492 -0.658030 -0.394700
H 8.337537 -0.573645 -2.158325
H 8.111770 0.899410 -1.209751


%chk=000186077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186077

0 1
O -1.045941 2.145919 -0.437628
O -0.545848 -2.042887 2.155194
C -2.555388 2.065703 -0.477905
C -2.416040 -0.159221 0.676577
C -3.068534 1.243108 0.717989
C -2.739945 -0.873211 -0.650944
C -2.963539 1.387446 -1.809249
C -0.906156 0.022220 0.830956
C -2.976107 -0.129099 -1.765008
C -2.716351 -2.404422 -0.630764
C -0.304240 1.169746 0.250367
C -2.998170 3.533744 -0.430373
C -0.053447 -0.878906 1.519916
C 1.086133 1.401956 0.337227
C -3.925138 -2.972957 0.169691
C -2.664096 -3.058310 -2.029272
C 1.918280 0.478317 1.011763
C 1.337013 -0.665038 1.611809
C 3.425180 0.686319 1.057611
C 4.164530 -0.039322 -0.101264
C 5.695858 0.155734 -0.052850
C 6.437133 -0.569088 -1.199668
C 7.967912 -0.374084 -1.146212
H -2.825107 -0.751184 1.522235
H -4.168487 1.159051 0.641222
H -2.821388 1.756024 1.665751
H -2.265613 1.738882 -2.594469
H -3.967898 1.757102 -2.107514
H -3.178517 -0.629253 -2.720492
H -1.786609 -2.704911 -0.098697
H -2.611420 4.022945 0.479951
H -2.606958 4.081119 -1.306119
H -4.100628 3.609308 -0.432721
H 1.499327 2.305290 -0.122737
H -4.869657 -2.755575 -0.362328
H -4.007615 -2.537589 1.184023
H -3.836616 -4.069294 0.282166
H -1.803854 -2.688068 -2.614929
H -3.587835 -2.856134 -2.603858
H -2.567458 -4.155028 -1.931867
H 1.946613 -1.391914 2.157632
H 3.659688 1.767746 1.005722
H 3.829363 0.315731 2.020467
H 3.769768 0.330778 -1.068971
H 3.924248 -1.120969 -0.060663
H -1.532630 -2.085639 2.094124
H 5.931703 1.240242 -0.092908
H 6.083535 -0.209864 0.921559
H 6.049117 -0.202933 -2.172099
H 6.199167 -1.651647 -1.158898
H 8.383242 -0.759879 -0.195859
H 8.473855 -0.902601 -1.975245
H 8.233863 0.697795 -1.216441


