%chk=000240632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240632

0 1
S -0.732567 -0.359323 -1.625142
S 0.974393 -1.305635 0.718474
O -1.438645 0.854541 -2.028344
O 0.357400 -0.797752 -2.472121
O 2.130344 -1.595555 -0.097215
O -0.033654 -2.348615 0.890200
O 4.495427 1.333512 -1.094648
O -4.280036 2.188893 0.904406
O 3.549933 1.208492 0.927862
O -3.977317 0.018853 0.441578
C 0.011755 0.039228 -0.010567
C 0.899022 1.267324 -0.238772
C -1.111223 0.357282 0.987726
C -1.869296 -1.644348 -1.342002
C 1.516901 -0.718788 2.279015
C 2.156569 1.033340 -1.081447
C -2.042299 1.518491 0.615281
C -2.245739 -2.298567 -2.661617
C 1.908792 -1.897424 3.155285
C 3.405311 1.183298 -0.279733
C -3.479885 1.107106 0.630477
H 1.182436 1.710340 0.743679
H 0.292663 2.068688 -0.728616
H -0.667901 0.599538 1.983271
H -1.719305 -0.566727 1.169922
H -1.479714 -2.430009 -0.637133
H -2.799219 -1.290926 -0.825212
H 2.403246 -0.034655 2.166014
H 0.764162 -0.093934 2.801714
H 2.167604 0.008306 -1.578452
H 2.178303 1.703943 -1.970597
H -1.826963 1.922347 -0.422458
H -1.879450 2.396340 1.275488
H -2.777653 -1.608719 -3.331956
H -1.363852 -2.681703 -3.199913
H -2.912634 -3.156472 -2.493615
H 1.083094 -2.614827 3.282909
H 2.768200 -2.449184 2.744428
H 2.203941 -1.560843 4.158855
H 5.351281 1.384874 -0.587079
H -5.251230 1.967572 0.875356


%chk=000240632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240632

0 1
S -0.728428 -0.462548 -1.869303
S 0.923262 -1.350936 0.759962
O -1.570832 0.833845 -2.442223
O 0.537819 -0.996839 -2.748521
O 2.317388 -1.649557 -0.030830
O -0.210645 -2.539545 0.864425
O 4.523900 0.983934 -0.764232
O -4.109266 2.841766 1.234202
O 3.248731 1.226185 1.152375
O -4.090189 0.540314 1.542486
C -0.067817 0.217115 -0.047193
C 0.801959 1.433958 -0.351406
C -1.282967 0.445126 0.855621
C -1.993884 -1.944194 -1.590114
C 1.378254 -0.853510 2.612146
C 2.155548 1.213852 -1.069605
C -2.166213 1.657079 0.460976
C -2.116493 -2.692291 -2.911191
C 2.361198 -1.901097 3.121406
C 3.314819 1.134819 -0.100018
C -3.518072 1.577976 1.137368
H 0.976598 1.976677 0.599699
H 0.171518 2.092871 -0.983772
H -0.911252 0.613252 1.887918
H -1.908063 -0.465401 0.908245
H -1.525263 -2.513806 -0.767974
H -2.906895 -1.418008 -1.268744
H 1.818272 0.151266 2.511253
H 0.401131 -0.862270 3.119055
H 2.151365 0.302722 -1.695480
H 2.354143 2.053162 -1.761476
H -2.338865 1.659155 -0.636583
H -1.693622 2.621896 0.709130
H -2.557763 -2.067993 -3.706466
H -1.135032 -3.063516 -3.251201
H -2.776673 -3.565277 -2.748996
H 1.908435 -2.906363 3.156994
H 3.262764 -1.935675 2.487178
H 2.670962 -1.621491 4.145965
H 5.262717 0.899300 -0.102699
H -5.020354 2.752349 1.626920


