%chk=000183218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183218

0 1
S 0.332448 -0.027578 -1.768413
S 3.720112 -0.433267 -2.350507
P 2.292749 -0.164101 -1.109384
O 2.305907 1.222647 -0.212325
O 2.113714 -1.306118 0.072999
O -4.287197 0.784414 0.201623
O -4.731252 -1.422740 -0.030328
C -2.050702 0.260395 -0.586217
C -0.588699 0.182531 -0.184821
C -2.930298 0.493007 0.644310
C 3.597034 1.729207 0.250958
C 3.183530 -2.283646 0.269513
C 3.220849 3.016775 0.960739
C 2.664769 -3.118399 1.425814
C -5.107776 -0.279467 -0.122006
C -6.427914 0.251782 -0.555855
H -2.229105 1.076920 -1.319679
H -2.378200 -0.675185 -1.094688
H -0.246120 1.103270 0.329403
H -0.389525 -0.676491 0.488449
H -2.947965 -0.377701 1.323764
H -2.675608 1.417226 1.193843
H 4.049579 0.991796 0.938557
H 4.258235 1.914327 -0.618576
H 4.124010 -1.760728 0.520574
H 3.306363 -2.882419 -0.654035
H 4.107489 3.547867 1.324528
H 2.559214 2.824358 1.815390
H 2.673292 3.690470 0.285455
H 3.359085 -3.927958 1.677613
H 1.691706 -3.568434 1.181414
H 2.508941 -2.506084 2.323782
H -7.236374 -0.145642 0.078419
H -6.649736 -0.053778 -1.591104
H -6.475353 1.352043 -0.513308


%chk=000183218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183218

0 1
S 0.531762 0.215932 -2.116092
S 4.159039 -0.498656 -2.256597
P 2.538891 0.008790 -1.082053
O 2.555769 1.504142 -0.204621
O 2.226841 -1.039269 0.287778
O -4.312373 0.714034 -0.043047
O -4.194989 -1.504656 0.675887
C -1.993641 0.450419 -0.909844
C -0.508902 0.690088 -0.584452
C -2.868009 0.884474 0.281510
C 3.754486 1.794648 0.644862
C 2.348819 -2.510875 0.080483
C 3.582728 3.227640 1.137462
C 2.128807 -3.154089 1.446842
C -4.856452 -0.558282 0.193022
C -6.307829 -0.595584 -0.229831
H -2.292484 1.027716 -1.804670
H -2.166832 -0.620084 -1.119791
H -0.289348 1.745541 -0.361663
H -0.161400 0.056820 0.248532
H -2.630383 0.292494 1.183908
H -2.767990 1.962062 0.490663
H 3.778075 1.066810 1.476884
H 4.665011 1.676106 0.026470
H 3.353288 -2.731085 -0.328176
H 1.583197 -2.833683 -0.651721
H 4.438177 3.505327 1.780903
H 2.656006 3.330903 1.727247
H 3.539738 3.929464 0.287760
H 2.205626 -4.253468 1.356984
H 1.129115 -2.906713 1.842364
H 2.888405 -2.808817 2.168645
H -6.809552 -1.453481 0.241343
H -6.369048 -0.709375 -1.327611
H -6.817346 0.344008 0.036520


