%chk=000181796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181796

0 1
O -4.471484 -2.662101 -0.526550
O 5.345978 -1.089129 2.276489
O -6.838796 -1.060899 0.071530
O 7.028681 -0.028269 0.137672
O -6.468095 1.686863 0.277168
O 5.725698 0.865991 -2.148104
C -0.793725 0.939186 0.952514
C 0.734488 1.137497 0.749895
C -1.593277 1.187718 -0.346721
C 1.311958 -0.011872 -0.111239
C -1.307576 1.833056 2.086320
C 1.089023 2.499649 0.148690
C -2.980481 0.613436 -0.260296
C 2.814864 -0.033842 -0.069124
C -3.175855 -0.758780 -0.427250
C 3.470849 -0.542701 1.053065
C -4.078517 1.456783 -0.018106
C 3.557423 0.451144 -1.159728
C -4.473073 -1.306627 -0.353626
C 4.879876 -0.573582 1.100154
C -5.360642 0.903623 0.060248
C 4.954385 0.421868 -1.101685
C -5.592046 -0.480802 -0.106877
C 5.648436 -0.088904 0.018811
C -5.733935 -3.376896 -0.451269
C 6.781600 -1.165047 2.485012
C -7.865636 -0.556730 -0.826986
C 7.748562 -0.742516 -0.905402
H -0.957388 -0.126905 1.258821
H 1.211075 1.075060 1.763142
H -1.628073 2.274160 -0.562138
H -1.056601 0.737829 -1.208072
H 0.946629 0.079473 -1.153576
H 0.916968 -0.985084 0.249509
H -1.159748 2.896317 1.870299
H -0.798527 1.615177 3.031460
H -2.381470 1.677532 2.251089
H 2.177293 2.643556 0.125422
H 0.727528 2.607872 -0.878216
H 0.662998 3.318001 0.739456
H -2.340712 -1.430303 -0.613080
H 2.916103 -0.922166 1.908621
H -3.928043 2.521425 0.116100
H 3.050073 0.851621 -2.029155
H -6.220667 2.638621 0.401853
H 5.166679 1.219768 -2.886218
H -5.404398 -4.418398 -0.532172
H -6.375253 -3.082061 -1.285966
H -6.227036 -3.175164 0.507487
H 6.836965 -1.519733 3.519954
H 7.234977 -0.173548 2.365380
H 7.219437 -1.878218 1.781803
H -7.566178 -0.698269 -1.866672
H -8.724957 -1.180157 -0.560997
H -8.060965 0.499873 -0.606907
H 7.452540 -1.792669 -0.922642
H 7.568421 -0.259898 -1.873666
H 8.788748 -0.616427 -0.589427


%chk=000181796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181796

0 1
O -4.653620 -2.715909 -0.136335
O 5.484411 -0.896567 2.351898
O -7.002295 -0.965817 0.205299
O 7.168049 0.138701 0.167035
O -6.583465 1.808907 0.104781
O 5.882369 0.954574 -2.194622
C -0.789886 0.920288 0.953092
C 0.742098 1.159730 0.747429
C -1.624233 1.136277 -0.350462
C 1.377901 0.053814 -0.156167
C -1.353495 1.768392 2.116878
C 1.090145 2.572623 0.223744
C -3.046311 0.600056 -0.252449
C 2.899678 0.031711 -0.107988
C -3.285864 -0.790501 -0.249200
C 3.569436 -0.423350 1.047699
C -4.154548 1.476711 -0.158119
C 3.674639 0.471492 -1.208816
C -4.598225 -1.316842 -0.154425
C 4.984198 -0.444584 1.124671
C -5.462721 0.961483 -0.040532
C 5.083505 0.474691 -1.133024
C -5.716582 -0.438373 -0.038161
C 5.769412 0.019164 0.027142
C -5.872354 -3.434630 -0.545412
C 6.837807 -1.468141 2.457094
C -8.062090 -0.591826 -0.755675
C 7.997051 -0.573781 -0.828926
H -0.905726 -0.148223 1.237618
H 1.207137 1.052514 1.751142
H -1.650308 2.217760 -0.585721
H -1.108879 0.636309 -1.193540
H 1.044309 0.195330 -1.202787
H 0.984887 -0.928836 0.175660
H -1.297325 2.850793 1.893236
H -0.787054 1.586357 3.049266
H -2.412660 1.519589 2.307370
H 2.185345 2.703796 0.166175
H 0.679099 2.739351 -0.790174
H 0.692345 3.361540 0.886876
H -2.462528 -1.506506 -0.340782
H 3.013446 -0.793921 1.915079
H -3.994353 2.563496 -0.162583
H 3.176500 0.825441 -2.121718
H -6.286799 2.749201 0.182209
H 5.306770 1.323212 -2.909420
H -5.548465 -4.482781 -0.645909
H -6.245114 -3.064203 -1.519927
H -6.665791 -3.338653 0.211468
H 6.859703 -1.932265 3.455925
H 7.608747 -0.687555 2.368384
H 7.004686 -2.241543 1.682640
H -7.799604 -0.935469 -1.776544
H -8.965772 -1.113485 -0.404270
H -8.221387 0.498750 -0.752258
H 7.797432 -1.663638 -0.792323
H 7.803261 -0.187123 -1.842601
H 9.038190 -0.372129 -0.532847


