%chk=000288362.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288362

0 1
O 3.606097 0.054400 2.066280
O 4.469279 1.363522 0.484652
C 0.690554 0.587609 0.086042
C 1.532455 -0.717416 0.272347
C -0.787058 0.323454 0.549079
C 3.013601 -0.548947 -0.186768
C 0.776353 1.022314 -1.395886
C -1.343684 -1.023517 0.158410
C -1.729103 1.458404 0.095324
C 0.899809 -1.896992 -0.499028
C 3.091213 -0.016786 -1.634497
C -3.738176 -0.105936 0.000372
C 2.225351 1.227182 -1.853093
C -2.802331 -1.259882 0.452030
C 1.222103 1.720760 0.990398
C -3.174214 1.227979 0.543144
C -0.575190 -2.018174 -0.302704
C 3.806612 -1.864365 -0.072196
C 3.761764 0.416798 0.740339
C -5.143397 -0.372946 0.610134
C -3.822336 -0.087405 -1.534651
C -6.195229 0.671324 0.247077
H 1.536465 -0.972359 1.361151
H -0.774045 0.322500 1.674087
H 0.213630 1.961728 -1.552657
H 0.278852 0.261363 -2.027443
H -1.701416 1.556271 -1.008016
H -1.362563 2.423436 0.498020
H 1.383956 -2.843703 -0.181103
H 1.106861 -1.796448 -1.587066
H 2.771776 -0.820187 -2.327337
H 4.143535 0.215109 -1.894772
H 2.674364 2.085933 -1.308215
H 2.243373 1.507663 -2.923178
H -3.144067 -2.206398 -0.010748
H -2.904751 -1.412728 1.547104
H 2.102929 2.216248 0.562158
H 0.473608 2.511991 1.121712
H 1.490130 1.355569 1.987433
H -3.234080 1.233350 1.647540
H -3.805947 2.069461 0.202464
H -0.988537 -2.990147 -0.563088
H 3.741918 -2.279216 0.943163
H 3.433427 -2.627146 -0.764363
H 4.869197 -1.720872 -0.303342
H -5.058334 -0.434462 1.712569
H -5.494982 -1.370630 0.281751
H -2.821615 -0.072341 -1.982989
H -4.337469 -0.972615 -1.919630
H -4.360644 0.793056 -1.897877
H -5.907589 1.673623 0.584071
H -6.357924 0.722915 -0.835688
H -7.159035 0.433498 0.711603
H 4.112906 0.645155 2.681380


%chk=000288362-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288362

0 1
O 3.642869 -0.133312 2.166029
O 4.665634 1.213636 0.591914
C 0.723328 0.640986 0.072773
C 1.540276 -0.702270 0.223082
C -0.791616 0.393496 0.465610
C 3.064351 -0.549506 -0.169535
C 0.884018 1.153780 -1.393136
C -1.354033 -0.987230 0.147967
C -1.763070 1.472175 -0.107872
C 0.897744 -1.855218 -0.601060
C 3.212463 0.065991 -1.590042
C -3.801090 -0.121284 0.013876
C 2.364663 1.339242 -1.807468
C -2.808212 -1.208948 0.538022
C 1.231254 1.728326 1.067196
C -3.212368 1.272601 0.386865
C -0.589344 -1.982380 -0.368480
C 3.803952 -1.930637 -0.129873
C 3.847411 0.298260 0.841967
C -5.170149 -0.343441 0.728429
C -3.964673 -0.266285 -1.521679
C -6.316314 0.607995 0.319656
H 1.497296 -1.002446 1.289512
H -0.845807 0.501139 1.575556
H 0.362068 2.122122 -1.509112
H 0.389888 0.444817 -2.088294
H -1.748721 1.434127 -1.212591
H -1.416959 2.484074 0.179986
H 1.372006 -2.813599 -0.315980
H 1.105883 -1.730217 -1.684411
H 2.910490 -0.703487 -2.327267
H 4.278491 0.291501 -1.777872
H 2.817186 2.177366 -1.245562
H 2.411866 1.625051 -2.876540
H -3.141291 -2.211511 0.203189
H -2.872629 -1.208049 1.649650
H 2.218700 2.140304 0.804070
H 0.527967 2.581516 1.087367
H 1.294841 1.318749 2.091978
H -3.238109 1.382266 1.492781
H -3.854053 2.074208 -0.028236
H -1.049809 -2.955952 -0.592997
H 3.626893 -2.452309 0.826449
H 3.463176 -2.573208 -0.958815
H 4.893778 -1.786680 -0.250915
H -5.007116 -0.259208 1.823675
H -5.490938 -1.390300 0.542386
H -2.985076 -0.311609 -2.029815
H -4.506823 -1.199771 -1.767509
H -4.531994 0.579466 -1.952212
H -6.065219 1.664869 0.523888
H -6.557841 0.517943 -0.754882
H -7.235720 0.371140 0.886644
H 4.218888 0.412708 2.767136


