%chk=000298612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298612

0 1
S 0.124202 1.483472 -0.005079
O -2.798803 1.172732 0.058910
C 1.461904 -0.709422 -0.020533
C 1.654350 0.652352 -0.032694
C -0.776650 0.002661 0.022849
C 0.065913 -1.074308 0.011316
C 2.531361 -1.740048 -0.037177
C 2.904389 1.425983 -0.063860
C -2.241236 0.094770 0.053440
C -3.003618 -1.199790 0.077311
H -0.250816 -2.108812 0.024183
H 2.442503 -2.392262 -0.918315
H 3.537018 -1.299369 -0.061105
H 2.480128 -2.381856 0.854530
H 3.536795 1.200587 0.811436
H 3.499091 1.190041 -0.962496
H 2.744736 2.515040 -0.066939
H -2.755440 -1.800349 0.961777
H -2.793109 -1.810830 -0.809740
H -4.088517 -1.014892 0.099286


%chk=000298612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298612

0 1
S 0.112010 1.593933 -0.008305
O -2.915570 1.192764 0.060758
C 1.447752 -0.711746 -0.021541
C 1.660385 0.672130 -0.033578
C -0.819422 0.041207 0.019881
C 0.050539 -1.050787 0.008664
C 2.556203 -1.742870 -0.037851
C 2.969158 1.417526 -0.063714
C -2.287795 0.088024 0.050399
C -3.033251 -1.246855 0.079924
H -0.307301 -2.084614 0.022074
H 2.476843 -2.400657 -0.923570
H 3.553235 -1.272739 -0.060083
H 2.511958 -2.391041 0.857359
H 3.590117 1.168956 0.817671
H 3.555102 1.158916 -0.965952
H 2.818069 2.509676 -0.066904
H -2.752063 -1.837751 0.970921
H -2.796726 -1.852063 -0.814405
H -4.115041 -1.046311 0.105351


