%chk=000189807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189807

0 1
O 5.588684 -0.980674 -0.048602
O -5.244799 -0.423700 0.485826
O -0.827565 3.166795 0.361458
O -6.061129 1.478040 -0.481995
C 3.239148 -0.333346 0.472771
C 2.579693 -1.014530 -0.766049
C 1.045775 -1.173006 -0.717544
C 0.367265 0.145121 -0.269894
C 4.642089 0.113638 -0.109329
C 2.455142 0.917592 0.920070
C 3.049533 -0.181912 -1.984429
C 0.957348 0.650518 1.062783
C 0.598855 -2.339124 0.198866
C 4.386654 0.468135 -1.597387
C 3.422999 -1.299217 1.641059
C -1.132091 0.006361 -0.133068
C -0.929977 -2.523265 0.118828
C -1.727192 -1.252383 0.105186
C 1.274860 -3.666993 -0.163318
C 5.294975 1.175337 0.635172
C -1.952997 1.142121 -0.208821
C -3.112469 -1.351520 0.286946
C -3.339012 1.066194 -0.030372
C -3.889827 -0.188476 0.224392
C -1.376966 2.507118 -0.489630
C 5.848989 2.048673 1.252477
C -1.556610 2.982154 -1.900849
C -6.263027 0.453732 0.113459
C -7.541533 -0.141929 0.584799
H 3.020614 -2.039288 -0.862334
H 0.697104 -1.404662 -1.755066
H 0.589040 0.909742 -1.060075
H 2.612162 1.742040 0.195676
H 2.860115 1.291340 1.881129
H 2.306649 0.595093 -2.240073
H 3.150799 -0.815164 -2.880075
H 0.764370 -0.081476 1.869106
H 0.440840 1.584659 1.375281
H 0.879513 -2.075635 1.253912
H 5.223256 0.107078 -2.220504
H 4.357209 1.561503 -1.744775
H 3.879779 -0.795183 2.502291
H 2.459093 -1.714487 1.966282
H 4.087968 -2.133328 1.388732
H -1.256659 -3.165531 0.963706
H -1.187729 -3.096490 -0.800152
H 2.366665 -3.595098 -0.069508
H 0.946530 -4.475447 0.498917
H 1.055877 -3.973255 -1.191867
H 5.267266 -1.733740 -0.582598
H -3.593948 -2.308341 0.479197
H -3.967032 1.957374 -0.089708
H 6.322175 2.799003 1.781869
H -2.620295 3.154805 -2.127121
H -1.195620 2.248630 -2.633180
H -1.027784 3.929771 -2.077682
H -7.397473 -1.108621 1.096551
H -8.229832 -0.308536 -0.259807
H -8.049663 0.535891 1.290670


%chk=000189807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189807

0 1
O 5.658631 -1.172658 -0.095312
O -5.288733 -0.506315 0.162445
O -0.157689 2.712931 -1.085521
O -6.125864 1.669825 -0.179654
C 3.349724 -0.325539 0.503291
C 2.709257 -1.140515 -0.677322
C 1.161582 -1.321504 -0.644104
C 0.459900 0.043983 -0.382911
C 4.769060 0.029928 -0.112929
C 2.533950 0.975669 0.764904
C 3.201704 -0.424121 -1.983229
C 1.020882 0.710197 0.912400
C 0.626280 -2.415724 0.326388
C 4.458299 0.413879 -1.592086
C 3.521524 -1.120760 1.815891
C -1.063116 -0.045397 -0.330949
C -0.884128 -2.595130 0.053695
C -1.683895 -1.300890 -0.047736
C 1.337391 -3.780655 0.192107
C 5.501950 1.059152 0.636174
C -1.911748 1.105544 -0.520270
C -3.084291 -1.386575 0.104655
C -3.323932 0.994229 -0.369825
C -3.894741 -0.246756 -0.041877
C -1.393355 2.463120 -0.934926
C 6.103631 1.928570 1.266528
C -2.395407 3.588213 -1.207123
C -6.310389 0.463107 0.086328
C -7.647920 -0.182004 0.374985
H 3.157610 -2.155236 -0.660484
H 0.872320 -1.659997 -1.666373
H 0.722080 0.740712 -1.198744
H 2.665752 1.696358 -0.065446
H 2.927652 1.468439 1.673752
H 2.415096 0.236748 -2.387784
H 3.424320 -1.166083 -2.772223
H 0.810670 0.074224 1.794037
H 0.505834 1.671525 1.079731
H 0.746694 -2.066136 1.370189
H 5.343168 0.204189 -2.218103
H 4.253305 1.494096 -1.673658
H 4.115091 -0.530106 2.538254
H 2.549360 -1.346972 2.285717
H 4.062892 -2.066563 1.644483
H -1.331677 -3.242605 0.832757
H -0.997393 -3.148795 -0.903902
H 2.368425 -3.754040 0.584222
H 0.791301 -4.559804 0.757430
H 1.379584 -4.103889 -0.866910
H 5.320840 -1.803955 -0.782269
H -3.560386 -2.345284 0.337754
H -3.970487 1.858455 -0.503318
H 6.635211 2.686915 1.810651
H -2.980967 3.841627 -0.304161
H -3.114667 3.316376 -2.000835
H -1.828162 4.476434 -1.523748
H -7.545816 -1.260916 0.555811
H -8.327370 -0.007313 -0.477227
H -8.101035 0.301899 1.257980


