%chk=000230686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230686

0 1
S 1.321001 0.581186 -1.360541
O 1.317420 2.023685 -1.346702
O 1.455282 -0.121882 -2.627226
O 0.827508 1.774376 1.094333
O -1.139418 2.486180 1.675283
O -4.710935 -2.181872 -0.429700
O -4.790123 -0.730897 1.178033
N -0.390188 1.742299 1.077917
N -4.242432 -1.281206 0.241754
C -0.295939 0.044612 -0.776189
C 2.461322 -0.086737 -0.257070
C -1.001989 0.643752 0.269198
C -0.896802 -0.989560 -1.492253
C -2.296392 0.235597 0.612525
C -2.870307 -0.816397 -0.113150
C -2.184612 -1.434867 -1.164866
C 2.735895 -1.461011 -0.290324
C 3.156892 0.743113 0.628102
C 3.679618 -2.006696 0.580019
C 4.104927 0.196882 1.501426
C 4.362915 -1.175519 1.478976
H -0.366738 -1.451155 -2.343403
H -2.854021 0.728712 1.426020
H -2.658587 -2.250957 -1.726604
H 2.223909 -2.108960 -1.007582
H 2.960352 1.825895 0.643596
H 3.892560 -3.074562 0.556718
H 4.639582 0.845777 2.194958
H 5.101402 -1.603590 2.159052


%chk=000230686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230686

0 1
S 1.338901 0.429948 -1.333936
O 1.418055 2.046179 -1.485828
O 1.444055 -0.532838 -2.655433
O 0.708554 1.629835 1.318225
O -1.361364 2.343515 1.962762
O -5.072380 -2.005822 -0.707876
O -5.168164 -0.489280 0.996484
N -0.577573 1.595088 1.271890
N -4.551518 -1.099524 0.044954
C -0.462788 -0.046822 -0.666160
C 2.675882 -0.186575 -0.139642
C -1.189542 0.588202 0.364219
C -1.079282 -1.019005 -1.470711
C -2.539297 0.258862 0.599524
C -3.127211 -0.731939 -0.205949
C -2.421441 -1.383431 -1.237975
C 2.996890 -1.552588 -0.188830
C 3.355154 0.763885 0.636335
C 4.056758 -1.998159 0.635063
C 4.420761 0.296626 1.439358
C 4.761876 -1.076677 1.445151
H -0.496658 -1.453625 -2.292381
H -3.104907 0.758141 1.390970
H -2.923591 -2.143129 -1.842486
H 2.469147 -2.234719 -0.862560
H 3.070427 1.818897 0.603677
H 4.337116 -3.056358 0.629721
H 4.977800 1.005962 2.059451
H 5.586441 -1.428454 2.074283


