%chk=000188527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188527

0 1
O 4.178604 -0.485535 -0.265581
O -1.837079 -2.081418 0.597084
O -5.848954 0.341038 -0.899384
O -4.486220 2.079756 -0.563227
C -3.804051 -0.190967 0.172488
C -2.333064 0.142696 -0.115006
C -1.403571 -1.008219 0.224852
C 0.053926 -0.775089 0.072501
C -4.107227 -0.270285 1.667850
C 4.903220 0.758541 -0.602255
C 2.821185 -0.482982 -0.170918
C -4.675242 0.892769 -0.438343
C 0.605977 0.451435 -0.322018
C 0.916410 -1.863246 0.345502
C 1.985363 0.612711 -0.447226
C 2.289488 -1.731847 0.228466
C 4.996646 1.609010 0.653152
C 6.241473 0.215184 -1.076279
H -4.057479 -1.181753 -0.298677
H -2.202931 0.408596 -1.186145
H -2.038838 1.053388 0.450849
H -5.161701 -0.511061 1.853482
H -3.508941 -1.074414 2.127550
H -3.873553 0.661227 2.195275
H 4.350962 1.271170 -1.419209
H -0.039803 1.305338 -0.537821
H 0.474485 -2.818337 0.654058
H 2.394624 1.568310 -0.758027
H 2.966524 -2.558405 0.433884
H 5.617466 2.497985 0.493834
H 4.010488 1.946201 0.996397
H 5.439747 1.043678 1.485426
H 6.940922 1.023064 -1.316900
H 6.122840 -0.413589 -1.968990
H 6.710153 -0.418668 -0.309744
H -6.466248 1.014316 -1.290598


%chk=000188527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188527

0 1
O 4.251470 -0.536319 -0.232212
O -1.922995 -2.195578 0.354946
O -6.117243 0.541124 -0.271264
O -4.438274 1.652988 -1.413465
C -3.845437 -0.171522 0.170949
C -2.372864 0.148420 -0.151255
C -1.443051 -1.047222 0.096086
C 0.031722 -0.839201 0.001777
C -4.131534 -0.163171 1.696696
C 4.976002 0.734877 -0.544405
C 2.859935 -0.548818 -0.164114
C -4.768542 0.772787 -0.584366
C 0.616972 0.409025 -0.339242
C 0.897240 -1.944194 0.256130
C 2.014669 0.564469 -0.423184
C 2.287310 -1.805908 0.177558
C 5.033885 1.626322 0.708065
C 6.357652 0.288066 -1.030452
H -4.063818 -1.197250 -0.191162
H -2.276929 0.458491 -1.211426
H -2.035926 1.019220 0.443489
H -5.185556 -0.409944 1.901648
H -3.491724 -0.916425 2.185880
H -3.912104 0.828048 2.135218
H 4.438440 1.247725 -1.368178
H -0.016713 1.277136 -0.548962
H 0.440445 -2.905406 0.513276
H 2.428276 1.541045 -0.689544
H 2.959526 -2.647637 0.369277
H 5.560927 2.570216 0.477899
H 4.026745 1.877050 1.082922
H 5.582747 1.109007 1.514335
H 6.970630 1.167942 -1.296024
H 6.268043 -0.360872 -1.917884
H 6.878303 -0.276845 -0.237620
H -6.682628 1.162950 -0.805089


