%chk=000205846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205846

0 1
S 2.779783 0.683923 -1.823963
P 2.550610 0.687733 0.051781
O 2.765937 -0.633726 0.969160
O 3.381622 1.751171 0.968719
O 0.997711 1.227051 0.550984
O -1.173192 -1.276333 -0.606670
O -4.258257 0.469113 0.019867
O -4.011691 -1.651346 -0.750433
N 0.098214 -0.794467 -0.369289
C 3.024957 -1.914671 0.299883
C 3.607096 3.092875 0.432791
C -0.022581 0.442675 0.170428
C 4.487912 -2.024289 -0.072166
C 2.323028 3.889938 0.339895
C -1.420890 0.803900 0.304533
C -2.087123 -0.288553 -0.187043
C -3.514105 -0.626437 -0.359193
C -5.703196 0.323970 -0.081587
H 2.743326 -2.604851 1.124112
H 2.337841 -2.066241 -0.555822
H 4.288407 3.484375 1.219303
H 4.151980 3.028403 -0.528528
H 5.133845 -1.580632 0.699355
H 4.726222 -1.529856 -1.025082
H 4.787896 -3.075242 -0.178741
H 2.515915 4.966755 0.426080
H 1.788369 3.736462 -0.608201
H 1.623597 3.622906 1.149413
H -1.808240 1.725009 0.702390
H -6.058547 1.296932 0.276424
H -5.981719 0.143199 -1.124913
H -6.037427 -0.497645 0.560212


%chk=000205846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205846

0 1
S 3.026075 0.846921 -2.007809
P 2.583641 0.794766 0.000278
O 2.850365 -0.614785 0.924717
O 3.314702 1.927718 1.050557
O 0.877653 1.224337 0.429177
O -1.309948 -1.354920 -0.679285
O -4.422144 0.370701 0.085371
O -4.140105 -1.770041 -0.825923
N 0.034154 -0.836836 -0.461363
C 3.045015 -1.938846 0.233225
C 3.759290 3.250322 0.504444
C -0.161817 0.402966 0.067319
C 4.534301 -2.227648 0.062354
C 2.594730 4.229380 0.354397
C -1.549377 0.736008 0.216249
C -2.224894 -0.376964 -0.254064
C -3.660843 -0.705408 -0.379709
C -5.892357 0.175449 0.021961
H 2.554847 -2.643492 0.923974
H 2.495072 -1.935323 -0.724178
H 4.482824 3.581279 1.266486
H 4.283738 3.081872 -0.455894
H 5.060939 -2.155018 1.029128
H 4.998618 -1.527005 -0.652870
H 4.665057 -3.254828 -0.327735
H 2.986549 5.222757 0.065557
H 1.887434 3.899296 -0.426083
H 2.046111 4.332793 1.305522
H -1.973231 1.652936 0.611739
H -6.313714 1.105451 0.426853
H -6.209229 0.013833 -1.021882
H -6.186157 -0.695571 0.631184


