%chk=000229440.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229440

0 1
O -2.137608 1.618249 -1.442051
O 0.090269 2.224668 1.484428
O -2.782276 -2.586116 0.368895
N -1.148285 -0.948671 0.835703
N -2.771164 -0.500973 -0.727412
C -0.758466 0.352037 0.213589
C 0.561956 0.306920 -0.562576
C 1.770423 -0.046941 0.313194
C 3.042448 -0.179666 -0.534560
C -1.934136 0.645600 -0.769805
C 4.261826 -0.511132 0.337562
C -0.782438 1.409779 1.354796
C -2.282962 -1.508651 0.176254
C 5.530868 -0.647728 -0.499961
H 0.727861 1.307788 -1.025243
H 0.480817 -0.407092 -1.406697
H 1.913759 0.744741 1.080843
H 1.593553 -0.986418 0.869204
H 2.909847 -0.962487 -1.305841
H 3.226967 0.761555 -1.089434
H -0.398106 -1.567448 1.144970
H 4.403134 0.278399 1.102452
H 4.082822 -1.448569 0.899463
H -1.656775 1.329234 2.017798
H -3.632798 -0.605605 -1.259001
H 5.442221 -1.447003 -1.244484
H 6.396954 -0.881977 0.129820
H 5.761389 0.278405 -1.039406


%chk=000229440-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229440

0 1
O -2.043930 1.553131 -1.616637
O -0.032596 2.389068 1.303534
O -3.017758 -2.496146 0.600698
N -1.194616 -0.967827 0.769002
N -2.854967 -0.458344 -0.646451
C -0.769168 0.309404 0.171640
C 0.580930 0.272904 -0.587191
C 1.784141 -0.157910 0.281160
C 3.102582 -0.154364 -0.526278
C -1.951834 0.591288 -0.825090
C 4.329065 -0.570286 0.317233
C -0.813449 1.419253 1.258899
C -2.414016 -1.444306 0.296584
C 5.642963 -0.561158 -0.493342
H 0.750069 1.290639 -0.984568
H 0.480656 -0.408755 -1.453575
H 1.887666 0.526815 1.144731
H 1.619440 -1.179368 0.685764
H 3.006830 -0.836878 -1.396273
H 3.271268 0.860460 -0.941285
H -0.628307 -1.513018 1.416202
H 4.423155 0.114812 1.184034
H 4.158910 -1.583252 0.736389
H -1.625369 1.263561 2.014094
H -3.723506 -0.565709 -1.171546
H 5.586589 -1.259519 -1.349541
H 6.504550 -0.861041 0.130712
H 5.852800 0.447445 -0.896399


