%chk=000180733.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180733

0 1
O 1.147110 -0.027660 -0.222517
O -3.357975 1.134773 -0.493877
O -2.123858 -3.359508 0.791281
O 0.383607 -3.927154 0.836623
O 4.623153 -0.835359 1.647667
C -1.107657 0.538097 -0.354659
C -0.142558 -0.444129 -0.085606
C -4.836745 0.901104 -0.384640
C 2.218724 -0.899750 0.308597
C -2.464246 0.166415 -0.219176
C -0.471164 -1.779865 0.271300
C -2.856604 -1.139843 0.177099
C 1.952458 -2.358908 -0.018606
C -1.839756 -2.086886 0.419698
C 0.566624 -2.802525 0.430019
C -0.721804 1.943206 -0.724960
C -5.193347 -0.488360 0.052941
C -4.270795 -1.425019 0.309965
C 3.462225 -0.367379 -0.347362
C -5.318857 1.200963 -1.800391
C -5.255001 1.953090 0.637549
C -0.728156 2.837966 0.481198
C 4.680222 -0.345465 0.364312
C 3.460859 0.119544 -1.658818
C 0.361924 3.335689 1.083834
C 5.867673 0.136665 -0.201791
C 4.635829 0.608957 -2.239964
C 5.831075 0.615003 -1.514379
C 0.243763 4.232894 2.281168
C 1.762403 3.061559 0.631644
H 2.218312 -0.712445 1.410716
H 2.726255 -3.002515 0.453829
H 2.045937 -2.555566 -1.107681
H 0.268452 1.939532 -1.228149
H -1.441844 2.338342 -1.476291
H -6.259967 -0.674737 0.145506
H -4.545416 -2.433975 0.628265
H -4.885966 2.139848 -2.171972
H -5.014034 0.411864 -2.500069
H -6.408769 1.289786 -1.847686
H -4.912037 1.686081 1.645837
H -4.809968 2.929246 0.399897
H -6.341855 2.076352 0.672848
H -1.728060 3.050464 0.858211
H 2.522728 0.122935 -2.220891
H -3.107848 -3.523923 0.870140
H 6.794185 0.140860 0.362790
H 4.616636 0.986208 -3.260374
H 6.744337 0.995732 -1.973105
H -0.794133 4.507398 2.505117
H 0.648925 3.741673 3.176281
H 0.803463 5.165627 2.134989
H 1.872543 2.023156 0.271994
H 2.044730 3.724806 -0.195915
H 2.497880 3.201110 1.431401
H 5.497690 -0.782376 2.107660


%chk=000180733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180733

0 1
O 1.148969 -0.034643 -0.399107
O -3.420585 1.266430 -0.114686
O -2.208277 -3.372991 0.860847
O 0.375637 -4.066826 0.437324
O 4.609776 -1.615216 1.341140
C -1.132050 0.594007 -0.270807
C -0.165373 -0.432997 -0.132177
C -4.881174 0.881131 -0.296315
C 2.224569 -0.942436 0.086406
C -2.476080 0.241678 -0.019639
C -0.494517 -1.792935 0.210817
C -2.866176 -1.061998 0.414322
C 1.916421 -2.376815 -0.371602
C -1.868163 -2.069084 0.498121
C 0.549252 -2.847918 0.146044
C -0.750310 2.027447 -0.622580
C -5.203712 -0.315688 0.584045
C -4.247903 -1.247829 0.862167
C 3.540999 -0.411341 -0.442336
C -5.083784 0.553450 -1.793794
C -5.647562 2.142388 0.127990
C -0.736862 2.930881 0.605050
C 4.745235 -0.781004 0.211484
C 3.626259 0.413623 -1.586216
C 0.332399 3.573864 1.155928
C 6.000999 -0.335517 -0.257393
C 4.876133 0.865647 -2.068473
C 6.063851 0.490366 -1.401868
C 0.153967 4.449884 2.387779
C 1.757064 3.500157 0.634350
H 2.216012 -0.904567 1.194459
H 2.689153 -3.069950 -0.001341
H 1.919370 -2.416928 -1.479164
H 0.226795 2.033719 -1.128015
H -1.504479 2.418208 -1.333021
H -6.222613 -0.398209 0.977551
H -4.503415 -2.100822 1.505833
H -4.813977 1.425155 -2.416205
H -4.460852 -0.307153 -2.093233
H -6.140791 0.294639 -1.986326
H -5.465527 2.368107 1.192085
H -5.322331 3.007079 -0.475012
H -6.732091 1.995859 -0.023719
H -1.720187 3.055544 1.081842
H 2.697969 0.706853 -2.085211
H -3.193625 -3.484930 0.857751
H 6.921326 -0.630646 0.263414
H 4.921156 1.507332 -2.954335
H 7.037112 0.836216 -1.766490
H -0.899826 4.490249 2.714272
H 0.762926 4.072388 3.233946
H 0.494481 5.486715 2.192076
H 1.887252 2.756443 -0.167014
H 2.087249 4.487451 0.252416
H 2.452841 3.230436 1.453522
H 5.488374 -1.801306 1.754597


