%chk=000193094.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193094

0 1
O 5.180714 -0.805401 -0.068377
O -5.782296 -0.479105 0.564504
O 6.995878 0.540266 0.274283
O -6.180902 0.613505 -1.391832
C -0.056784 -0.285902 0.388389
C 0.601669 1.029995 -0.131153
C -1.559460 -0.350941 -0.039694
C 2.064528 0.997899 0.313779
C 2.812580 -0.198725 -0.381542
C -2.276019 0.916019 0.534699
C 0.724936 -1.548722 -0.046044
C -0.134142 2.258138 0.430379
C 2.242694 -1.488402 0.216225
C -1.618880 2.221131 0.055062
C 3.015498 2.202751 0.104327
C -2.218660 -1.609027 0.603068
C -1.702670 -0.433172 -1.566222
C -3.780091 0.925433 0.191562
C 4.249122 0.216612 -0.049255
C 2.714126 -0.216122 -1.915309
C 4.379635 1.539784 0.152905
C -3.715546 -1.572533 0.595776
C -4.372801 -0.419392 0.430775
C 6.543911 -0.560484 0.104535
C -6.607553 0.067111 -0.406323
C 7.239420 -1.874812 0.034360
C -8.017726 -0.160307 0.013023
H -0.029178 -0.249815 1.506253
H 0.540498 1.059551 -1.244149
H 2.068454 0.800986 1.419789
H -2.183854 0.869562 1.649341
H 0.552337 -1.730151 -1.127363
H 0.313122 -2.431657 0.477931
H 0.330319 3.182958 0.039565
H -0.020301 2.306612 1.529860
H 2.452414 -1.535360 1.300787
H 2.738723 -2.373883 -0.221834
H -2.140437 3.090400 0.497734
H -1.734890 2.326811 -1.041381
H 2.895635 2.967352 0.887224
H 2.851136 2.705651 -0.864013
H -1.874573 -1.722627 1.652561
H -1.873453 -2.518692 0.071505
H -1.096757 -1.244948 -1.984116
H -2.743065 -0.618133 -1.860114
H -1.387473 0.496765 -2.051881
H -3.947764 1.214414 -0.872806
H -4.304705 1.697348 0.788581
H 3.367630 -0.989597 -2.334370
H 1.692686 -0.422870 -2.254388
H 3.016171 0.743201 -2.350731
H 5.278428 2.100845 0.342478
H -4.229838 -2.516315 0.753058
H 6.544140 -2.713480 -0.133613
H 7.787526 -2.075021 0.968968
H 7.977296 -1.881026 -0.783829
H -8.091145 -0.664459 0.990833
H -8.547015 -0.783826 -0.725260
H -8.562954 0.794107 0.083577


%chk=000193094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193094

0 1
O 5.248221 -0.809633 -0.041905
O -5.868674 -0.469186 0.706774
O 7.114467 0.533819 0.445559
O -6.255286 0.210469 -1.503900
C -0.058504 -0.273102 0.293225
C 0.604091 1.054766 -0.215096
C -1.590621 -0.354738 -0.065239
C 2.082354 1.021730 0.206273
C 2.860394 -0.184625 -0.416432
C -2.295293 0.918595 0.531031
C 0.741634 -1.551789 -0.107926
C -0.136845 2.280171 0.369753
C 2.268377 -1.478781 0.185954
C -1.647738 2.241033 0.060935
C 3.034780 2.235178 0.010203
C -2.217386 -1.605997 0.630552
C -1.830081 -0.461691 -1.597188
C -3.819220 0.927488 0.251851
C 4.279748 0.227714 -0.024353
C 2.819078 -0.231946 -1.975901
C 4.407422 1.573312 0.160596
C -3.730234 -1.561505 0.727588
C -4.430530 -0.421370 0.532496
C 6.623154 -0.586376 0.203123
C -6.693320 -0.089562 -0.373923
C 7.363029 -1.903259 0.123505
C -8.142775 -0.106544 0.059302
H -0.012058 -0.211174 1.407907
H 0.537231 1.103436 -1.321529
H 2.090174 0.833117 1.304492
H -2.157950 0.855751 1.634219
H 0.594280 -1.764796 -1.183610
H 0.327802 -2.422884 0.434821
H 0.307616 3.214093 -0.026542
H 0.014068 2.297402 1.470732
H 2.439281 -1.482116 1.281341
H 2.768869 -2.377325 -0.223862
H -2.158672 3.092684 0.553945
H -1.810728 2.370528 -1.028328
H 2.867417 3.034886 0.754591
H 2.927767 2.700794 -0.993207
H -1.788654 -1.717927 1.651103
H -1.928221 -2.523809 0.080960
H -1.299396 -1.334119 -2.018974
H -2.902968 -0.594396 -1.822377
H -1.480988 0.434433 -2.139378
H -4.023995 1.223916 -0.795288
H -4.307625 1.690484 0.891493
H 3.521143 -1.005178 -2.338721
H 1.816921 -0.476418 -2.366982
H 3.127506 0.735236 -2.411958
H 5.335103 2.110943 0.352529
H -4.268935 -2.488425 0.960747
H 7.233764 -2.352716 -0.876479
H 6.950726 -2.616258 0.858340
H 8.431834 -1.739259 0.321920
H -8.375590 -1.046394 0.586725
H -8.794223 0.009676 -0.818745
H -8.331444 0.721944 0.765359


