%chk=000186578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186578

0 1
O -2.307061 -2.237511 -0.935231
O -5.097485 -1.277119 -0.491916
C -2.682918 -1.183654 -0.029523
C -1.489284 -0.244364 0.017067
C -3.930979 -0.462249 -0.637076
C -1.711241 1.147150 0.247185
C -0.205582 -0.731161 -0.124256
C 0.918263 0.132996 -0.032850
C -2.960124 -1.781068 1.350029
C 0.699723 1.507970 0.218854
C -4.131207 0.907043 -0.051813
C -0.625081 2.000131 0.353783
C -3.090048 1.650434 0.343787
C 2.280666 -0.359010 -0.186436
C 3.361649 0.546722 -0.067161
C 1.830314 2.404743 0.333105
C 3.099877 1.945240 0.198435
C 2.561087 -1.726125 -0.455253
C 4.694179 0.075385 -0.211679
C 3.862425 -2.166512 -0.593835
C 4.940157 -1.258404 -0.469934
H -3.821600 -0.406546 -1.752225
H -0.055393 -1.798121 -0.323931
H -2.083241 -2.338881 1.707863
H -3.174647 -1.002212 2.090716
H -3.798876 -2.484898 1.330086
H -5.162627 1.250922 -0.007297
H -0.775089 3.063855 0.534418
H -3.217579 2.657586 0.742067
H -3.071001 -2.837248 -1.089290
H 1.627771 3.456993 0.529919
H -5.396515 -1.299633 0.441578
H 3.955243 2.615160 0.284444
H 1.730758 -2.428027 -0.555380
H 5.518424 0.780742 -0.116908
H 4.071369 -3.215005 -0.800879
H 5.959775 -1.623225 -0.581662


%chk=000186578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186578

0 1
O -2.372954 -2.389525 -0.829968
O -5.136520 -1.369390 -0.569564
C -2.710526 -1.206917 -0.017278
C -1.506664 -0.263489 -0.018463
C -3.941261 -0.502870 -0.662031
C -1.733949 1.132971 0.250570
C -0.207380 -0.748353 -0.169352
C 0.934089 0.105912 -0.049760
C -3.003783 -1.662602 1.438995
C 0.710875 1.497729 0.260269
C -4.170490 0.883801 -0.095982
C -0.624219 1.980349 0.400525
C -3.113939 1.641773 0.320035
C 2.305494 -0.376644 -0.217185
C 3.402915 0.548080 -0.051238
C 1.837905 2.389762 0.415725
C 3.133010 1.931845 0.268828
C 2.614369 -1.734476 -0.541998
C 4.746988 0.087611 -0.207917
C 3.939669 -2.164430 -0.692532
C 5.018314 -1.248636 -0.523488
H -3.760143 -0.449143 -1.753709
H -0.092647 -1.812061 -0.391654
H -2.099617 -2.138518 1.852080
H -3.278930 -0.811027 2.086879
H -3.818380 -2.410832 1.460026
H -5.194402 1.276096 -0.121779
H -0.780926 3.046102 0.611091
H -3.268591 2.671418 0.665552
H -3.219431 -2.892478 -0.962792
H 1.642291 3.442226 0.652963
H -5.483490 -1.329173 0.358631
H 3.982711 2.614200 0.389397
H 1.806588 -2.458762 -0.682693
H 5.567701 0.803282 -0.077540
H 4.147550 -3.210339 -0.943433
H 6.051876 -1.591390 -0.642408


