%chk=000179402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179402

0 1
S 0.347692 -1.990510 -0.001214
C -0.124386 0.590217 -0.000232
C -0.801062 -0.653577 -0.000530
C 1.332390 0.442633 -0.000246
C -2.189713 -0.755613 -0.000334
C 1.738963 -0.913476 -0.000658
C -2.929932 0.452215 -0.000040
C -0.869726 1.770847 0.000078
C -2.264454 1.689806 0.000203
C 2.307696 1.445182 0.000135
C -2.879391 -2.078856 -0.000605
C 3.075817 -1.287132 -0.000662
C -4.424354 0.422637 0.000432
C 3.657426 1.078579 0.000178
C 4.039043 -0.270875 -0.000236
H -0.373170 2.738240 0.000361
H -2.848757 2.609487 0.000424
H 2.019184 2.493832 0.000448
H -2.188975 -2.933183 0.007112
H -3.526742 -2.188984 0.882057
H -3.514310 -2.194544 -0.891601
H 3.371098 -2.334429 -0.000962
H -4.812504 -0.094311 0.890166
H -4.868404 1.426488 -0.006742
H -4.813436 -0.107154 -0.881249
H 4.424261 1.852036 0.000533
H 5.096343 -0.531656 -0.000219


%chk=000179402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179402

0 1
S 0.349813 -2.070684 -0.000843
C -0.109152 0.598097 -0.000205
C -0.800449 -0.653636 -0.000399
C 1.347387 0.446961 -0.000214
C -2.210303 -0.756109 -0.000238
C 1.758964 -0.922734 -0.000429
C -2.959196 0.459703 -0.000030
C -0.873156 1.788809 0.000037
C -2.278704 1.708752 0.000022
C 2.343381 1.455862 0.000011
C -2.913045 -2.100666 -0.000789
C 3.118768 -1.292456 -0.000406
C -4.477150 0.423469 0.000626
C 3.707034 1.097501 0.000036
C 4.093462 -0.269191 -0.000156
H -0.376043 2.765146 0.000154
H -2.871512 2.631095 0.000075
H 2.052442 2.512497 0.000161
H -2.198395 -2.941322 0.006538
H -3.569249 -2.213416 0.883669
H -3.557280 -2.218831 -0.893422
H 3.420246 -2.345299 -0.000561
H -4.875088 -0.099887 0.892132
H -4.897838 1.443495 -0.005484
H -4.875890 -0.111018 -0.883784
H 4.475504 1.878333 0.000210
H 5.156044 -0.536573 -0.000113


