%chk=000198516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198516

0 1
S 1.029498 -2.305576 1.091819
S -1.800982 -1.526395 1.773919
P 1.682291 -0.528461 0.201071
O 2.056067 -0.904131 -1.344563
O 3.139117 -0.404111 0.958789
O 0.760954 0.627018 0.276709
O -3.910154 0.675022 -0.381057
O -2.630713 -1.023344 -1.166034
C 3.011876 -1.958668 -1.640279
C 3.267267 0.665136 1.942896
C -0.735926 -2.425016 0.633074
C -2.103867 0.045192 0.956299
C 4.434445 -1.508924 -1.374921
C 2.602041 0.285850 3.251062
C -2.856313 -0.201131 -0.305802
C -4.749169 0.645703 -1.580771
C -4.035517 1.338938 -2.721862
H 2.814233 -2.094422 -2.725906
H 2.746221 -2.888098 -1.102904
H 2.884100 1.617565 1.527747
H 4.372135 0.716360 2.035637
H -0.992965 -3.504191 0.715645
H -0.935282 -2.146040 -0.428826
H -2.655468 0.704374 1.662615
H -1.147194 0.604839 0.731049
H 5.159292 -2.200972 -1.819220
H 4.663034 -1.441351 -0.298693
H 4.623421 -0.512456 -1.798539
H 3.002187 0.876296 4.084583
H 2.767278 -0.774437 3.494650
H 1.514359 0.446245 3.241049
H -4.997249 -0.406111 -1.808448
H -5.639484 1.193977 -1.222788
H -3.670852 2.331495 -2.426279
H -3.158654 0.760477 -3.051925
H -4.692127 1.466747 -3.589796


%chk=000198516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198516

0 1
S 1.058834 -2.380677 1.381232
S -2.082833 -1.826098 1.842196
P 1.652988 -0.424027 0.315293
O 2.024702 -0.818915 -1.316734
O 3.208367 -0.138140 1.023862
O 0.624272 0.786500 0.404358
O -4.028588 0.576014 -0.504694
O -2.525639 -1.020720 -1.302772
C 2.857265 -2.006591 -1.679435
C 3.322279 0.906367 2.094910
C -0.749046 -2.591972 0.783544
C -2.309260 -0.145968 0.994816
C 4.352180 -1.685094 -1.643837
C 2.932671 0.355749 3.467766
C -2.933229 -0.273500 -0.378774
C -4.689249 0.621818 -1.850339
C -3.972522 1.615688 -2.767753
H 2.510961 -2.240646 -2.699829
H 2.596057 -2.848154 -1.007760
H 2.704686 1.778032 1.810188
H 4.388889 1.181158 2.050419
H -0.905006 -3.680600 0.824850
H -0.860550 -2.238833 -0.252677
H -2.949563 0.439253 1.669847
H -1.315713 0.334708 0.903190
H 4.924033 -2.563308 -1.999498
H 4.681923 -1.436239 -0.621310
H 4.582152 -0.831999 -2.304604
H 3.127393 1.122741 4.240964
H 3.525012 -0.541993 3.713943
H 1.862117 0.090306 3.508912
H -4.684399 -0.397219 -2.275213
H -5.719200 0.935597 -1.617805
H -3.928945 2.617117 -2.306277
H -2.945605 1.278084 -2.985722
H -4.519536 1.698962 -3.725257


