%chk=000191470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191470

0 1
O -3.548701 -0.005207 1.303764
O -3.261370 -0.863701 -0.751762
O 3.761773 1.981756 -0.527570
O 4.779956 -0.759520 -0.302156
N -1.319604 1.305136 -0.401729
C -3.691130 0.333085 -0.069707
C -2.761289 1.546155 -0.284200
C 0.686108 0.057178 0.026990
C -4.335032 -1.155671 1.744191
C -3.241670 -0.824466 -2.192556
C -0.776098 0.268505 0.149728
C 1.559820 1.121321 -0.242215
C 2.933430 0.878717 -0.336149
C 1.193747 -1.245317 0.184678
C 3.442062 -0.425890 -0.152187
C 2.564174 -1.489454 0.099627
C -4.065852 -1.222909 3.235021
C -4.642381 -0.739351 -2.777160
C 4.421681 1.987135 -1.824061
C 5.684984 -0.044049 0.583752
H -4.748544 0.535399 -0.328098
H -3.066249 2.082071 -1.214223
H -2.923814 2.264963 0.558836
H -3.971060 -2.043678 1.197470
H -5.395413 -0.970246 1.506620
H -2.591309 0.002887 -2.527778
H -2.753462 -1.793713 -2.417910
H -1.318769 -0.515992 0.715161
H 1.177640 2.135633 -0.385166
H 0.512898 -2.074585 0.377884
H 2.968516 -2.492852 0.224581
H -4.574140 -2.076447 3.695724
H -2.989423 -1.316503 3.436716
H -4.398889 -0.308152 3.743125
H -5.068896 0.265896 -2.698147
H -5.324991 -1.428989 -2.263227
H -4.643833 -1.010101 -3.840033
H 3.672825 2.110662 -2.611226
H 5.070205 2.866159 -1.750708
H 4.999085 1.066695 -1.963768
H 5.528565 1.039101 0.515088
H 5.534951 -0.400882 1.606263
H 6.666397 -0.337376 0.197320


%chk=000191470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191470

0 1
O -3.526120 -0.265700 1.392020
O -3.348872 -0.902939 -0.849064
O 3.791716 1.878151 -1.066936
O 4.985902 -0.578221 -0.018383
N -1.274717 1.272527 -0.228451
C -3.662652 0.226361 0.046628
C -2.733291 1.452633 -0.126215
C 0.776326 0.023038 0.134026
C -4.513240 -1.312205 1.748942
C -3.339380 -0.600263 -2.292372
C -0.690810 0.190921 0.218364
C 1.609474 1.027497 -0.428417
C 2.999619 0.846568 -0.500671
C 1.369352 -1.175603 0.612986
C 3.594423 -0.342534 0.027189
C 2.767187 -1.353123 0.562908
C -4.307239 -1.640000 3.226071
C -4.719999 -0.230304 -2.862976
C 4.456030 1.501012 -2.335577
C 5.818767 0.408934 0.710348
H -4.720369 0.543535 -0.133785
H -3.052268 2.007115 -1.030769
H -2.936156 2.126444 0.730840
H -4.353633 -2.195902 1.104009
H -5.536780 -0.918698 1.559735
H -2.594098 0.193077 -2.506727
H -2.977124 -1.537396 -2.748569
H -1.250143 -0.646129 0.674944
H 1.155600 1.944310 -0.816736
H 0.732478 -1.961982 1.035233
H 3.244462 -2.261351 0.944263
H -5.021869 -2.419160 3.548787
H -3.283074 -2.013626 3.398768
H -4.457575 -0.743437 3.851862
H -5.085909 0.741257 -2.483992
H -5.464617 -1.006324 -2.611910
H -4.658376 -0.154605 -3.964781
H 3.697505 1.277790 -3.109824
H 5.045745 2.381864 -2.632290
H 5.114583 0.624366 -2.193834
H 5.625692 1.434110 0.348606
H 5.610164 0.347663 1.795198
H 6.860185 0.113731 0.511359


