%chk=000198316.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198316

0 1
S -2.514164 -0.623882 1.919788
P -2.852593 -0.189254 0.106174
O -2.232767 1.342569 -0.421417
O -2.669034 -1.234513 -1.135708
O -4.401067 0.225636 -0.282494
O 3.072437 0.549923 -0.174014
N -0.434964 0.002010 -0.143106
N 0.845329 -0.260973 -0.072611
C -0.876818 1.274491 -0.391562
C -0.016291 2.381911 -0.590622
C 1.335677 2.114919 -0.513038
C 1.734603 0.767868 -0.244830
C 3.509845 -0.829175 0.134400
C -2.095036 -2.528503 -0.795110
C -5.034069 1.186645 0.598386
C 4.998751 -0.704521 0.160660
C 5.804855 -1.733661 0.404926
H -0.421306 3.373059 -0.790859
H 2.097288 2.883733 -0.645948
H 3.072075 -1.120202 1.107908
H 3.134723 -1.495082 -0.664547
H -2.009982 -2.991659 -1.789586
H -2.782089 -3.102417 -0.162062
H -1.099538 -2.431788 -0.336792
H -5.101801 0.809626 1.627826
H -6.040655 1.264210 0.159756
H -4.525948 2.157396 0.548296
H 5.370348 0.306447 -0.037622
H 6.882862 -1.644401 0.424756
H 5.462328 -2.739512 0.604352


%chk=000198316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198316

0 1
S -3.159457 -0.635285 2.210802
P -3.202625 -0.244001 0.192290
O -2.174575 1.143434 -0.358671
O -3.011673 -1.498522 -0.953417
O -4.646255 0.387188 -0.486990
O 3.246808 0.556712 -0.036946
N -0.286944 -0.204096 -0.039288
N 1.075932 -0.375870 0.043114
C -0.798444 1.030206 -0.268387
C 0.002254 2.196599 -0.438717
C 1.383748 2.031217 -0.360420
C 1.878005 0.713709 -0.112566
C 3.750026 -0.830795 0.241026
C -2.237986 -2.705936 -0.558553
C -5.297330 1.526532 0.199127
C 5.237122 -0.720957 0.423105
C 6.134720 -1.491015 -0.239412
H -0.466297 3.165523 -0.622958
H 2.083565 2.861620 -0.478323
H 3.237424 -1.197201 1.151002
H 3.471089 -1.490154 -0.599875
H -2.258191 -3.331265 -1.462972
H -2.733943 -3.219061 0.283691
H -1.209591 -2.413280 -0.291072
H -5.452736 1.303002 1.270784
H -6.264213 1.635190 -0.313023
H -4.693217 2.442851 0.081113
H 5.575263 0.012444 1.167477
H 7.209536 -1.413725 -0.043719
H 5.820982 -2.224163 -0.992920


