%chk=000208867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208867

0 1
O -1.162487 0.439967 0.717131
O 0.044835 1.946787 -0.455999
C -2.430278 1.102572 0.339060
C -3.461952 -0.014134 0.508782
C 2.339663 0.143151 -0.166251
C 3.541981 -0.596302 0.431606
C 1.154757 0.154082 0.805588
C -3.471646 -0.972643 -0.688978
C 4.725770 -0.614382 -0.546007
C -2.634611 2.273838 1.286074
C 0.017338 0.971919 0.259544
C -4.490131 -2.094332 -0.505005
C 5.929559 -1.347971 0.040292
H -2.324580 1.442517 -0.715071
H -4.467245 0.424504 0.656764
H -3.238210 -0.578291 1.438568
H 2.037099 -0.328331 -1.122395
H 2.617681 1.186671 -0.425434
H 3.258683 -1.633523 0.695560
H 3.849564 -0.117349 1.381317
H 0.813197 -0.879916 1.028371
H 1.455488 0.581083 1.787243
H -2.457522 -1.401883 -0.822935
H -3.692586 -0.415232 -1.620385
H 4.422321 -1.094397 -1.497214
H 5.012158 0.423009 -0.809817
H -2.597356 1.959165 2.335911
H -1.848472 3.030088 1.144878
H -3.597045 2.768882 1.116666
H -4.487462 -2.774634 -1.364455
H -5.508789 -1.704548 -0.399019
H -4.273879 -2.694112 0.386728
H 6.282132 -0.873732 0.963314
H 5.691739 -2.391085 0.277749
H 6.768985 -1.355938 -0.664381


%chk=000208867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208867

0 1
O -1.215252 0.322531 0.706303
O 0.056661 1.818728 -0.557517
C -2.472621 1.093746 0.378873
C -3.619764 0.078349 0.472247
C 2.403728 0.092326 -0.226431
C 3.636412 -0.614724 0.378009
C 1.160287 -0.020800 0.679872
C -3.551389 -1.042580 -0.589017
C 4.883592 -0.534517 -0.531843
C -2.594746 2.267354 1.360497
C -0.012900 0.814232 0.190057
C -4.720667 -2.042757 -0.468959
C 6.122496 -1.219715 0.084398
H -2.356414 1.472367 -0.655034
H -4.572980 0.635302 0.363708
H -3.622545 -0.364963 1.488009
H 2.175122 -0.340592 -1.220411
H 2.627023 1.161809 -0.400438
H 3.398098 -1.680964 0.576326
H 3.875138 -0.160898 1.363085
H 0.829865 -1.069112 0.793873
H 1.409107 0.333797 1.702043
H -2.587649 -1.575946 -0.483701
H -3.552673 -0.588262 -1.601018
H 4.650463 -0.999157 -1.511442
H 5.113291 0.530190 -0.740175
H -2.649092 1.900566 2.401172
H -1.733277 2.949594 1.265366
H -3.513106 2.844895 1.147563
H -4.653509 -2.833934 -1.237873
H -5.695971 -1.534424 -0.591697
H -4.721420 -2.534449 0.522157
H 6.395438 -0.750901 1.048749
H 5.928694 -2.292106 0.276363
H 6.999258 -1.149486 -0.585314


