%chk=000227901.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227901

0 1
O 1.616601 0.003642 0.158860
O 3.190723 0.007544 1.774026
C 3.838504 -0.004512 -0.615679
C 4.707429 1.267173 -0.591672
C 4.701856 -1.279727 -0.580383
C 2.923604 0.002846 0.595525
C -0.722011 0.006373 0.371385
C 0.568452 0.010513 1.182884
C -1.948414 0.013910 1.293112
C 3.885636 2.529780 -0.828180
C 3.874532 -2.540769 -0.805678
C -3.216681 0.008816 0.482075
C -3.808513 1.219062 0.089160
C -3.810821 -1.206247 0.107971
C -4.984259 1.211346 -0.665906
C -4.986565 -1.208002 -0.647141
C -5.576245 -0.000703 -1.035111
H 3.211238 -0.007262 -1.545232
H 5.495668 1.183439 -1.366234
H 5.241422 1.338399 0.379168
H 5.235562 -1.344670 0.391056
H 5.490428 -1.206323 -1.355650
H -0.744268 -0.878256 -0.297755
H -0.742397 0.881930 -0.309648
H 0.701946 0.915491 1.798956
H 0.700699 -0.886943 1.810149
H -1.921393 -0.862609 1.972933
H -1.920249 0.900259 1.960019
H 3.122349 2.670766 -0.052518
H 4.522797 3.422073 -0.820849
H 3.366385 2.504890 -1.793519
H 3.110761 -2.671596 -0.028714
H 4.507799 -3.435731 -0.790586
H 3.355232 -2.522102 -1.771132
H -3.351933 2.165496 0.370910
H -3.356044 -2.149068 0.404366
H -5.440380 2.152887 -0.967431
H -5.444484 -2.153237 -0.934029
H -6.491868 -0.004381 -1.622009


%chk=000227901-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227901

0 1
O 1.621765 -0.002644 -0.025884
O 3.188209 0.005379 1.697711
C 3.960884 -0.005176 -0.653415
C 4.835860 1.278616 -0.566442
C 4.838876 -1.285767 -0.551609
C 2.930941 0.000328 0.469682
C -0.794790 0.000623 0.243655
C 0.534457 0.002934 0.998424
C -1.999640 0.008672 1.227247
C 4.043389 2.589240 -0.755694
C 4.049562 -2.600215 -0.726986
C -3.335398 0.008419 0.497486
C -3.957678 1.226853 0.121805
C -3.969180 -1.210318 0.142666
C -5.178716 1.229604 -0.589645
C -5.190296 -1.213623 -0.568708
C -5.799654 0.007820 -0.938285
H 3.412181 -0.011343 -1.614251
H 5.621749 1.202821 -1.343527
H 5.348865 1.285910 0.414716
H 5.351104 -1.280997 0.429973
H 5.625215 -1.216768 -1.328864
H -0.850591 -0.891467 -0.407437
H -0.847463 0.885255 -0.417795
H 0.654329 0.900169 1.634549
H 0.652862 -0.888392 1.643049
H -1.929208 -0.877634 1.888268
H -1.924578 0.901681 1.878719
H 3.288389 2.721527 0.041038
H 4.717855 3.464042 -0.724104
H 3.514669 2.601284 -1.726884
H 3.293712 -2.725021 0.070150
H 4.725849 -3.473142 -0.684468
H 3.522285 -2.624513 -1.698739
H -3.484850 2.179025 0.394417
H -3.505414 -2.162135 0.431580
H -5.646939 2.180822 -0.867433
H -5.667555 -2.164973 -0.830201
H -6.747960 0.007599 -1.487264


