%chk=000268539.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268539

0 1
S -0.118427 1.171459 0.323375
O -0.537108 2.559172 0.357304
O 0.788006 0.699887 1.358920
O 1.791832 -1.363748 0.790647
O 3.814805 -0.405254 0.564990
N 0.584419 0.948751 -1.240308
C 0.997948 -0.392720 -1.701585
C -1.501339 0.134952 0.269962
C 2.454841 -0.803508 -1.414969
C 1.439975 2.067597 -1.703585
C -1.420339 -1.173901 0.757427
C -2.709411 0.623382 -0.237346
C 2.800645 -0.801259 0.046000
C -2.547173 -1.999490 0.729008
C -3.837977 -0.202137 -0.266745
C -3.755339 -1.512260 0.216389
H 0.311989 -1.156242 -1.264825
H 0.842498 -0.425370 -2.808347
H 3.164999 -0.132278 -1.946644
H 2.640090 -1.817745 -1.831403
H 0.930328 3.030669 -1.494268
H 1.583138 2.010491 -2.795277
H 2.433030 2.091838 -1.223553
H -0.473019 -1.553122 1.163389
H -2.776874 1.654251 -0.603633
H -2.486074 -3.018112 1.109636
H -4.779694 0.177457 -0.660791
H -4.635920 -2.155989 0.196215
H 1.821647 -1.048971 1.751517


%chk=000268539-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268539

0 1
S -0.087035 0.948731 0.500264
O -0.396761 2.534944 0.697428
O 0.788542 0.112323 1.602281
O 3.020115 -1.595019 0.709579
O 3.738036 0.581967 0.308071
N 0.547326 0.805694 -1.295365
C 1.122791 -0.524196 -1.606474
C -1.719667 0.013448 0.314936
C 2.670209 -0.713349 -1.497114
C 1.301526 2.012612 -1.708251
C -1.831533 -1.233361 0.950013
C -2.759339 0.626476 -0.403358
C 3.207698 -0.474218 -0.100960
C -3.066541 -1.915581 0.839649
C -3.985087 -0.070848 -0.500640
C -4.134714 -1.337506 0.115086
H 0.615677 -1.282001 -0.981757
H 0.842753 -0.735602 -2.658300
H 3.188698 -0.029869 -2.189103
H 2.887373 -1.753716 -1.796979
H 0.787047 2.897943 -1.297623
H 1.253830 2.064137 -2.812682
H 2.357545 2.025539 -1.377261
H -0.989887 -1.635793 1.523466
H -2.620383 1.611757 -0.858440
H -3.191571 -2.890118 1.322886
H -4.819409 0.375029 -1.051957
H -5.088627 -1.870171 0.036173
H 3.182885 -1.341449 1.657931


