%chk=000198579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198579

0 1
S -4.165929 0.988062 0.189396
O 4.837628 -0.012905 -1.060735
O 1.441826 -0.604660 -0.190656
N -4.505912 -0.673340 -0.190647
C 3.757235 -0.642191 -0.305014
C 5.100840 -0.409748 0.324221
C 2.591491 0.272243 0.004011
C 0.181832 -0.062594 -0.066914
C -2.147581 -0.575982 -0.177295
C -0.831267 -1.015182 -0.282504
C -0.092119 1.285208 0.242829
C -2.432215 0.778844 0.134846
C -1.418400 1.708065 0.343626
C -3.395732 -1.342302 -0.348823
H 3.471148 -1.638790 -0.670393
H 5.270128 0.422355 1.003221
H 5.812560 -1.226597 0.429514
H 2.539507 1.116797 -0.709827
H 2.585415 0.633727 1.046677
H -0.577371 -2.044801 -0.521477
H 0.710667 1.998909 0.400825
H -1.647793 2.746925 0.581229
H -3.386356 -2.406243 -0.593911


%chk=000198579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198579

0 1
S -4.224850 0.978462 0.305982
O 5.179694 0.413366 -0.209916
O 1.550651 -0.542679 -0.308104
N -4.513088 -0.822061 0.111859
C 3.921418 -0.349707 -0.548138
C 4.772608 -0.803491 0.594780
C 2.651342 0.436458 -0.310644
C 0.241778 -0.052811 -0.153242
C -2.121009 -0.615968 -0.042443
C -0.775730 -1.026463 -0.193240
C -0.073370 1.326240 0.035900
C -2.433774 0.769023 0.146475
C -1.413476 1.739234 0.185963
C -3.329337 -1.424591 -0.048654
H 3.968621 -0.903410 -1.493865
H 4.450097 -0.587093 1.620732
H 5.422580 -1.676619 0.467669
H 2.498485 1.178497 -1.120592
H 2.706170 0.969065 0.659946
H -0.509912 -2.077460 -0.340108
H 0.717834 2.080554 0.069123
H -1.641780 2.799458 0.330423
H -3.345351 -2.512205 -0.177707


