%chk=000179776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179776

0 1
O -1.852372 -1.356478 0.114135
O 2.555902 0.443840 -0.009805
C -3.342313 -1.238987 0.127563
C -1.562981 1.062764 0.020835
C -1.059332 -0.259438 0.063358
C -3.829310 0.177914 0.082350
C -0.633642 2.131767 -0.030909
C -3.004319 1.234253 0.033134
C -3.719157 -1.935999 1.433337
C -3.749704 -2.027671 -1.115380
C 4.673002 -0.574994 0.052124
C 0.318161 -0.549726 0.056458
C 1.192463 0.535291 0.005490
C 3.165518 -0.887927 0.036802
C 0.734226 1.872543 -0.038515
C -1.109596 3.548229 -0.077766
C 5.128116 -0.163222 1.454065
C 5.453563 -1.790429 -0.455216
H -4.910200 0.283887 0.092480
H -3.391731 2.253087 0.000976
H -3.199922 -2.898646 1.527079
H -3.427048 -1.330897 2.301123
H -4.795234 -2.121492 1.497874
H -3.478513 -1.486929 -2.031127
H -3.232453 -2.995235 -1.151887
H -4.826936 -2.215909 -1.140936
H 4.844717 0.288529 -0.643730
H 0.641666 -1.581359 0.089960
H 2.851347 -1.438427 -0.865085
H 2.818945 -1.405568 0.945010
H 1.466525 2.672879 -0.078027
H -1.711464 3.796126 0.808571
H -0.282971 4.271035 -0.114898
H -1.733157 3.729998 -0.965164
H 6.173537 0.162830 1.454421
H 5.039029 -0.982305 2.175079
H 4.521084 0.673068 1.826934
H 6.532618 -1.594595 -0.441385
H 5.184733 -2.045760 -1.486177
H 5.280704 -2.676848 0.165148


%chk=000179776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179776

0 1
O -1.828891 -1.377312 0.065035
O 2.635626 0.536180 -0.019577
C -3.341817 -1.298950 0.085442
C -1.565705 1.084842 0.062991
C -1.025540 -0.231711 0.050414
C -3.845577 0.134219 0.101793
C -0.662958 2.194288 0.047677
C -3.022817 1.220430 0.091122
C -3.767342 -2.057462 1.362937
C -3.801953 -2.040450 -1.190208
C 4.757846 -0.650886 -0.033132
C 0.364605 -0.472186 0.023421
C 1.237979 0.638982 0.008622
C 3.230061 -0.813137 -0.028964
C 0.725993 1.962459 0.020655
C -1.186878 3.621318 0.060323
C 5.251179 0.054156 1.250263
C 5.421984 -2.036851 -0.210881
H -4.936130 0.248313 0.122522
H -3.455798 2.226322 0.103388
H -3.351103 -3.080167 1.349723
H -3.397097 -1.535656 2.261377
H -4.869280 -2.124553 1.423559
H -3.454353 -1.507508 -2.091181
H -3.387262 -3.063806 -1.201019
H -4.905181 -2.105257 -1.223026
H 5.017686 -0.017501 -0.905001
H 0.715715 -1.506213 0.014386
H 2.888098 -1.358666 -0.933333
H 2.899069 -1.371777 0.872840
H 1.435829 2.794830 0.007992
H -1.793843 3.825931 0.962731
H -0.353941 4.343359 0.046292
H -1.826851 3.829565 -0.818123
H 6.342695 0.224619 1.209741
H 5.037593 -0.565325 2.143324
H 4.749875 1.028460 1.379986
H 6.522158 -1.937952 -0.230101
H 5.108288 -2.524096 -1.153240
H 5.161539 -2.711650 0.627530


