%chk=000286314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286314

0 1
O -0.279041 -2.145908 -0.668050
O 3.754523 1.497063 0.331168
C -2.867272 -0.040351 -1.419516
C -4.105891 0.433849 -0.649513
C -1.639439 0.858744 -1.211152
C -3.976213 0.296662 0.873262
C -0.960074 0.593006 0.105731
C -2.944904 1.260179 1.484601
C -1.536041 0.782185 1.302018
C 0.436055 0.102252 0.004280
C 0.729179 -1.238278 -0.338442
C 1.498276 0.978585 0.221141
C 2.821986 0.510289 0.085061
C 2.044498 -1.694871 -0.467059
C 3.110890 -0.814417 -0.261538
C -0.975438 -2.691870 0.481562
C 5.153605 1.147227 0.211069
H -3.105189 -0.079367 -2.500478
H -2.606662 -1.080333 -1.133298
H -4.984727 -0.149701 -0.989067
H -4.327140 1.486871 -0.911443
H -1.931623 1.927770 -1.262063
H -0.929767 0.700192 -2.049610
H -3.710276 -0.745640 1.134326
H -4.963932 0.483900 1.337772
H -3.162778 1.392258 2.562960
H -3.057425 2.268417 1.032371
H -0.989836 0.586641 2.224052
H 1.324819 2.020076 0.487479
H 2.224723 -2.734165 -0.739594
H 4.130450 -1.166530 -0.371739
H -1.499432 -1.895153 1.019557
H -0.271885 -3.218023 1.131172
H -1.681565 -3.387479 0.015111
H 5.382118 0.836767 -0.812468
H 5.417452 0.376674 0.940839
H 5.643673 2.099980 0.450996


%chk=000286314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286314

0 1
O -0.165862 -2.138787 -1.093437
O 3.748277 1.493246 0.737680
C -3.194742 -0.344053 -1.150922
C -4.308194 0.440287 -0.417730
C -1.838525 0.397909 -1.291803
C -4.036083 0.734389 1.075794
C -0.992028 0.503252 -0.018987
C -2.835320 1.687894 1.330689
C -1.458862 1.075547 1.132329
C 0.435582 0.050206 -0.090761
C 0.818581 -1.214152 -0.638079
C 1.472368 0.907388 0.352989
C 2.835184 0.537327 0.255636
C 2.173878 -1.575452 -0.752291
C 3.199284 -0.707276 -0.313211
C -0.717932 -2.979206 -0.014254
C 5.172092 1.170123 0.641117
H -3.556935 -0.583433 -2.170996
H -3.025775 -1.312823 -0.642680
H -5.256311 -0.129279 -0.500989
H -4.477147 1.403172 -0.945812
H -2.042984 1.427785 -1.659867
H -1.246172 -0.106730 -2.072577
H -3.866148 -0.216750 1.619147
H -4.944571 1.194990 1.514089
H -2.901978 2.075111 2.364760
H -2.950932 2.569623 0.661750
H -0.781517 1.109278 1.997998
H 1.229603 1.897711 0.750162
H 2.417208 -2.549093 -1.190898
H 4.246148 -1.005531 -0.420280
H -1.179451 -2.357381 0.777660
H 0.075841 -3.611171 0.431769
H -1.481327 -3.616646 -0.487373
H 5.485221 1.031614 -0.412566
H 5.421010 0.260533 1.222783
H 5.694213 2.037879 1.070658


