%chk=000186143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186143

0 1
O 2.306090 -1.898510 0.524795
O 2.472613 -1.072793 -1.571614
O -1.696147 -1.740234 2.010934
C 4.807476 0.730692 -0.493813
C 3.655912 1.372225 0.276894
C 3.808330 -0.160370 0.281140
C 6.197496 0.840003 0.094884
C 4.803979 0.722871 -2.000050
C 2.525148 2.030215 -0.411016
C 2.824966 -1.014920 -0.417152
C 1.264261 1.992860 0.038859
C 0.793807 1.265906 1.269605
C 0.105150 2.674539 -0.641702
C -0.707811 1.571122 1.420621
C -1.165969 2.216557 0.097907
C 1.286547 -2.845413 0.085978
C -0.028738 -2.411663 0.617466
C -1.246346 -2.288474 -0.155701
C -0.342242 -2.074365 1.911281
C -2.227734 -1.888915 0.712161
C -3.678596 -1.614986 0.627770
C -3.969865 -0.304805 -0.060524
C -3.818084 -0.192748 -1.451061
C -4.407705 0.799581 0.684163
C -4.109471 1.015088 -2.089621
C -4.699803 2.004828 0.038621
C -4.553396 2.114812 -1.347455
H 3.898386 1.870761 1.230360
H 4.156213 -0.624070 1.218296
H 6.197506 0.880415 1.189959
H 6.817462 -0.017255 -0.198081
H 6.700910 1.747511 -0.263343
H 3.801727 0.506299 -2.411682
H 5.120628 1.691795 -2.402343
H 5.474285 -0.046728 -2.401373
H 2.788347 2.566585 -1.321474
H 1.365506 1.574460 2.162001
H 0.968733 0.174687 1.156511
H 0.222563 3.772765 -0.592895
H 0.060637 2.413501 -1.714607
H -0.882829 2.253279 2.268791
H -1.281812 0.650875 1.632209
H -1.724587 1.482676 -0.512945
H -1.855346 3.056133 0.276926
H 1.295005 -2.919225 -1.021169
H 1.632738 -3.796301 0.536046
H -1.327282 -2.467438 -1.209678
H 0.187471 -1.996618 2.833508
H -4.120717 -1.627717 1.652235
H -4.185894 -2.448142 0.086973
H -3.467379 -1.043818 -2.031819
H -4.516548 0.724078 1.764429
H -3.989791 1.099779 -3.168832
H -5.041866 2.860149 0.619323
H -4.782632 3.053261 -1.847895


%chk=000186143-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186143

0 1
O 2.223785 -2.568834 0.817827
O 2.295192 -1.551404 -1.285289
O -2.244994 -3.507641 0.674185
C 4.371701 0.451649 0.070367
C 2.996201 1.068249 0.369271
C 3.273308 -0.458540 0.695969
C 5.511165 0.824765 1.021199
C 4.825224 0.237006 -1.371581
C 2.025120 1.483923 -0.674903
C 2.575427 -1.523735 -0.056793
C 1.165582 2.531314 -0.541455
C 1.021283 3.452648 0.677427
C 0.148404 2.961404 -1.603568
C 0.055951 4.578729 0.210559
C -0.846231 3.875832 -0.837731
C 1.458414 -3.711559 0.200478
C -0.015461 -3.446660 0.167272
C -0.731889 -2.601015 -0.774661
C -0.967446 -3.973645 1.024624
C -2.073882 -2.649346 -0.447796
C -3.314362 -1.993486 -0.980953
C -3.712163 -0.704578 -0.250258
C -3.888800 0.502787 -0.969570
C -3.924065 -0.702069 1.152744
C -4.271774 1.691329 -0.304835
C -4.307606 0.482899 1.818540
C -4.484004 1.684663 1.092411
H 2.957693 1.672075 1.284492
H 3.390503 -0.695221 1.757209
H 5.150048 0.989120 2.053192
H 6.276259 0.026088 1.050668
H 6.003311 1.755988 0.681778
H 4.020402 -0.153187 -2.012994
H 5.185594 1.192599 -1.796656
H 5.661339 -0.486884 -1.402964
H 1.996590 0.884717 -1.593340
H 1.989880 3.848233 1.035942
H 0.568969 2.892732 1.521746
H 0.652593 3.545404 -2.401769
H -0.340364 2.098747 -2.091270
H 0.630745 5.390185 -0.276882
H -0.513903 5.025168 1.044691
H -1.607392 3.256622 -0.325388
H -1.373771 4.586526 -1.499046
H 1.859354 -3.873235 -0.815320
H 1.709113 -4.560670 0.854899
H -0.274813 -2.023899 -1.575870
H -0.924655 -4.652380 1.872349
H -4.148040 -2.720990 -0.924672
H -3.155696 -1.773406 -2.051440
H -3.726410 0.515021 -2.054748
H -3.782122 -1.629526 1.719434
H -4.405848 2.616914 -0.876760
H -4.469297 0.469884 2.902565
H -4.782859 2.603490 1.609472


