%chk=000179540.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179540

0 1
S 3.531271 0.275387 -0.211291
O -2.191292 -0.774756 0.603816
O 3.848936 1.622128 0.235762
O 4.245277 -0.857013 0.357116
O -4.996050 0.688630 -0.561046
O -3.029377 1.517962 -1.251554
C 1.833443 0.014407 0.008934
C 0.955134 1.100789 0.024293
C 1.350608 -1.286957 0.212048
C -0.873833 -0.400934 0.402182
C -0.415678 0.907007 0.212618
C -0.007313 -1.513379 0.404267
C 3.751099 0.225533 -1.953228
C -3.182337 0.232316 0.860112
C -3.644353 0.883185 -0.433357
H 1.339391 2.120437 -0.106273
H 2.050257 -2.132479 0.233151
H -1.097673 1.754086 0.171110
H -0.407474 -2.512812 0.562701
H 2.832164 0.052137 -2.523231
H 4.177100 1.161303 -2.345644
H 4.451329 -0.565366 -2.261630
H -3.995606 -0.372486 1.326970
H -2.818713 0.993775 1.576977
H -5.374212 1.100198 -1.387503


%chk=000179540-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179540

0 1
S 3.594168 0.331645 -0.202276
O -2.275096 -0.919293 0.665214
O 3.852030 1.876977 0.275760
O 4.425684 -0.935131 0.418408
O -4.705973 1.663159 -0.318332
O -3.257235 0.434869 -1.673274
C 1.753593 -0.026773 0.027236
C 0.873848 1.061636 0.111080
C 1.340882 -1.364473 0.170126
C -0.942463 -0.535974 0.439484
C -0.499548 0.804938 0.316047
C -0.027114 -1.617463 0.375330
C 3.866626 0.290777 -2.098220
C -3.291258 0.108011 0.798789
C -3.701144 0.714868 -0.546512
H 1.257564 2.085283 0.043411
H 2.075241 -2.176497 0.152865
H -1.193511 1.648532 0.368633
H -0.407687 -2.635648 0.494023
H 3.597623 -0.717954 -2.439895
H 3.229157 1.073453 -2.531444
H 4.936385 0.503628 -2.232437
H -4.167855 -0.402115 1.230991
H -2.990029 0.914866 1.494537
H -5.011791 2.051776 -1.182245


