%chk=000271874.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271874

0 1
O -1.774966 0.550061 -0.008238
O -7.746832 -0.314699 -0.212489
O -0.877186 2.608634 0.275411
O 0.790484 -3.409838 -0.459497
O 4.152635 2.693368 0.393347
O 2.956981 -3.371390 -0.409566
O 5.283863 0.856221 0.181783
N 1.863099 -2.842469 -0.364599
N 4.247939 1.490815 0.241160
C -4.029651 -0.086530 -0.117590
C -5.500396 0.330349 -0.097548
C -3.129584 1.132837 0.036789
C -6.420746 -0.882580 -0.249642
C 0.563188 0.676445 0.058192
C -0.725611 1.419680 0.125906
C 1.755202 1.406034 0.177122
C 0.590489 -0.713020 -0.119226
C 1.830532 -1.369550 -0.176760
C 2.980597 0.724013 0.115919
C 3.036424 -0.665134 -0.060799
H -3.784158 -0.616207 -1.061571
H -3.816388 -0.814618 0.692499
H -5.754742 0.861279 0.843601
H -5.723154 1.056627 -0.907054
H -3.241123 1.651752 1.004045
H -3.210579 1.856517 -0.791994
H -6.279899 -1.400844 -1.214373
H -6.314346 -1.600088 0.582771
H 1.730687 2.501263 0.316925
H -0.348380 -1.285372 -0.212683
H 4.006759 -1.191296 -0.107468
H -8.417036 -1.017960 -0.299272


%chk=000271874-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271874

0 1
O -1.774125 0.412064 0.008151
O -7.944717 -0.131340 -0.220469
O -0.854694 2.540272 0.279898
O 0.988874 -3.534494 -0.425802
O 4.124318 2.853454 0.360852
O 3.265658 -3.379141 -0.388227
O 5.401141 0.973848 0.143095
N 2.086101 -2.864809 -0.337132
N 4.268026 1.583074 0.208788
C -4.139643 -0.144730 -0.121376
C -5.596885 0.372296 -0.085897
C -3.150316 1.004465 0.059663
C -6.614531 -0.757487 -0.269395
C 0.606424 0.602357 0.061153
C -0.718967 1.303000 0.130657
C 1.776546 1.390379 0.165294
C 0.702495 -0.798863 -0.103854
C 1.981171 -1.386490 -0.162612
C 3.030585 0.755037 0.100498
C 3.167705 -0.636214 -0.063952
H -3.936923 -0.650483 -1.085081
H -3.979306 -0.892505 0.679098
H -5.804844 0.876642 0.877393
H -5.760385 1.121362 -0.884562
H -3.267604 1.515239 1.032865
H -3.228250 1.761151 -0.742297
H -6.448964 -1.265206 -1.245016
H -6.499185 -1.510980 0.540574
H 1.701626 2.474385 0.293119
H -0.194234 -1.417087 -0.184527
H 4.150686 -1.111449 -0.113015
H -8.643683 -0.823446 -0.332784


