%chk=000118390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118390

0 1
S 3.112913 -0.515695 0.039701
O -1.948797 2.389889 -0.370201
O 2.985838 -1.882577 -0.423083
O 4.132365 0.369375 -0.487752
O -1.771216 -1.904518 -0.689645
O -3.077679 -0.581489 0.585802
N 3.427595 -0.629274 1.727639
C 1.584290 0.264032 -0.051876
C -0.858908 0.149996 -0.105938
C 0.410399 -0.473713 -0.047997
C -0.895859 1.556372 -0.219280
C 1.528807 1.673492 -0.136857
C 0.312898 2.315057 -0.220664
C -2.030052 -0.734343 -0.004486
C -3.314300 1.906397 -0.461141
C -2.794311 -2.935089 -0.628080
H 0.447500 -1.575104 -0.003966
H 2.461488 2.253490 -0.149993
H 0.239881 3.400840 -0.297703
H 3.448579 -1.554414 2.150835
H 4.185178 -0.070770 2.114069
H -3.417637 1.196932 -1.285367
H -3.858605 2.838327 -0.663562
H -3.620643 1.463997 0.498639
H -3.026431 -3.170979 0.415417
H -2.311870 -3.774192 -1.142429
H -3.687624 -2.589637 -1.156584


%chk=000118390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118390

0 1
S 3.214586 -0.473051 -0.052848
O -2.103634 2.387490 -0.112817
O 3.035880 -1.927532 -0.764285
O 4.296709 0.644940 -0.537783
O -1.785530 -2.013679 -0.510247
O -3.171889 -0.477963 0.550177
N 3.584788 -0.801676 1.724263
C 1.535458 0.354477 -0.010108
C -0.891798 0.161480 -0.104483
C 0.399164 -0.442406 -0.124287
C -0.970736 1.594240 -0.037177
C 1.483442 1.756529 0.123341
C 0.222185 2.362955 0.102054
C -2.069470 -0.746296 0.007864
C -3.312741 1.984978 -0.858693
C -2.849353 -3.030053 -0.332668
H 0.480797 -1.528404 -0.222369
H 2.402714 2.345834 0.194136
H 0.113652 3.449433 0.158355
H 3.671212 -1.824707 1.846366
H 4.450245 -0.289612 1.964711
H -3.040207 1.397514 -1.755443
H -3.777914 2.936755 -1.156799
H -3.979514 1.394673 -0.213312
H -3.076656 -3.162893 0.738405
H -2.431756 -3.947534 -0.769388
H -3.765836 -2.719088 -0.861468


