%chk=000196169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196169

0 1
O 4.035445 0.700506 0.900815
O -4.749814 -0.782154 -1.578421
O -1.475409 -0.247777 1.813415
O -5.455526 1.254217 -2.881909
O -4.796762 3.314794 -2.405024
C 1.353761 -2.692748 -0.571033
C 0.125743 -3.608922 -0.676015
C 1.400735 -1.929376 0.762618
C -1.162058 -2.825075 -0.743054
C 2.622362 -1.087673 0.854578
C -3.311518 -2.063510 0.338331
C -2.010638 -2.811442 0.299166
C -3.179024 -0.582619 0.106936
C -1.404030 -2.072650 -2.010526
C -3.954850 0.061044 -0.882597
C 3.967213 -1.571759 1.066819
C -2.305223 0.227981 0.848007
C 2.704464 0.279229 0.759398
C -3.893559 1.461817 -1.115903
C -2.999260 2.240506 -0.311136
C 4.796000 -0.472649 1.089954
C -2.215224 1.622890 0.651336
C -2.898565 3.711974 -0.502248
C 6.218059 -0.320736 1.263159
C -4.685264 2.144496 -2.116357
C 6.906488 0.840199 1.271374
C 8.389583 0.854979 1.463095
C 6.257006 2.170534 1.093865
H 2.274807 -3.298514 -0.683708
H 1.365017 -1.971314 -1.411789
H 0.218640 -4.246240 -1.579951
H 0.115959 -4.319424 0.174963
H 1.375974 -2.644168 1.611338
H 0.489313 -1.300801 0.869809
H -3.825921 -2.230672 1.309103
H -4.000710 -2.501737 -0.425127
H -1.805341 -3.405044 1.188377
H -0.860612 -2.490599 -2.865497
H -1.089349 -1.023224 -1.902089
H -2.473043 -2.051666 -2.275963
H 4.239514 -2.599752 1.183467
H 2.022529 1.082339 0.613468
H -1.523642 2.189564 1.272658
H -2.601957 3.969695 -1.534512
H -3.876947 4.206753 -0.360723
H -2.184465 4.193319 0.177093
H 6.738837 -1.274400 1.397966
H -5.332005 -0.341887 -2.285413
H -1.522366 -1.244836 1.907748
H 8.666575 1.436171 2.354884
H 8.894548 1.319855 0.603704
H 8.820124 -0.147457 1.585852
H 5.718463 2.219870 0.131607
H 5.483765 2.336584 1.864118
H 6.954452 3.012967 1.131730
H -6.011196 1.711343 -3.559154


%chk=000196169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196169

0 1
O 4.530614 0.797489 0.930046
O -5.269799 -0.906589 -1.741467
O -1.678885 -0.149881 1.387244
O -6.416158 1.035823 -2.789546
O -5.884856 3.233812 -2.317876
C 1.568685 -2.609147 -0.359998
C 0.266918 -3.457771 -0.379482
C 1.624225 -1.592503 0.811409
C -1.011450 -2.679147 -0.669711
C 2.947677 -0.870689 0.904591
C -3.451035 -2.091221 -0.017997
C -2.073268 -2.723957 0.195986
C -3.507198 -0.573892 -0.194883
C -1.044778 -1.904111 -1.974141
C -4.478060 0.001814 -1.054746
C 4.249901 -1.459430 1.143691
C -2.668186 0.313955 0.522954
C 3.162183 0.493243 0.782289
C -4.628703 1.434555 -1.192235
C -3.765117 2.300428 -0.420895
C 5.199562 -0.435907 1.157831
C -2.802405 1.720991 0.416410
C -3.850322 3.814693 -0.477754
C 6.634008 -0.469836 1.360000
C -5.627363 2.028960 -2.084726
C 7.533863 0.567555 1.376424
C 9.006892 0.293262 1.611599
C 7.152856 2.025282 1.170261
H 2.431965 -3.298497 -0.281698
H 1.691156 -2.070428 -1.319265
H 0.380518 -4.234573 -1.165484
H 0.169406 -3.993072 0.585768
H 1.433664 -2.139825 1.758196
H 0.808833 -0.851581 0.709490
H -4.088843 -2.361169 0.847360
H -3.942791 -2.545268 -0.897789
H -1.975638 -3.366231 1.085352
H -0.584728 -2.499419 -2.785539
H -0.462469 -0.964384 -1.900758
H -2.069293 -1.633307 -2.274672
H 4.465322 -2.516365 1.297227
H 2.506125 1.341995 0.609308
H -2.129554 2.347056 1.008646
H -3.678373 4.196722 -1.499219
H -4.852655 4.178525 -0.191947
H -3.102715 4.259178 0.200199
H 7.016464 -1.486654 1.521548
H -5.921231 -0.399962 -2.329550
H -1.528304 -1.131393 1.219640
H 9.370308 0.837328 2.506619
H 9.615929 0.653983 0.758281
H 9.216946 -0.781066 1.753852
H 6.674015 2.182374 0.186578
H 6.415249 2.360026 1.922092
H 8.040552 2.678372 1.235459
H -7.068559 1.502655 -3.372371


