%chk=000187646.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187646

0 1
S 0.135823 -1.644629 1.396101
O -0.165204 -3.544758 -1.008650
O 3.164223 -1.158123 0.678314
O 2.963541 1.543704 -0.756075
O 1.703579 0.100222 -1.931022
C -1.103256 -1.593540 0.056098
C -1.698709 -0.228420 -0.065475
C -0.483337 -2.169368 -1.220493
C -2.682026 0.167426 0.859715
C -1.300919 0.668044 -1.068693
C 1.082376 -0.109799 1.296044
C -3.253201 1.438448 0.779821
C -1.879153 1.938709 -1.146218
C -2.853741 2.327966 -0.223873
C 2.271574 -0.397417 0.441155
C 2.256054 0.389035 -0.899178
H -1.884727 -2.329550 0.407760
H -1.227697 -2.208592 -2.043285
H 0.411564 -1.618302 -1.569520
H -3.000352 -0.518015 1.645276
H -0.543215 0.382876 -1.803368
H 1.400336 0.145371 2.335540
H 0.467371 0.750107 0.957249
H -4.014746 1.736937 1.499544
H -1.569762 2.624585 -1.934218
H -3.303971 3.317035 -0.287376
H 0.624356 -3.635760 -0.428939
H 3.013618 2.081209 -1.597435


%chk=000187646-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187646

0 1
S 0.417251 -1.478484 1.226955
O 0.191772 -3.184625 -1.404976
O 3.547659 0.277129 1.540221
O 3.982818 -0.479588 -1.084380
O 1.901258 0.413850 -1.607740
C -1.034111 -1.459860 -0.103597
C -1.835992 -0.182507 -0.071607
C -0.479056 -1.886763 -1.477265
C -2.936921 -0.072312 0.820974
C -1.528439 0.921613 -0.914745
C 1.121487 0.293389 1.222553
C -3.715210 1.102574 0.868746
C -2.312000 2.097502 -0.868309
C -3.405137 2.193556 0.021548
C 2.561747 0.207661 0.769738
C 2.751193 0.051614 -0.758392
H -1.626010 -2.299525 0.305923
H -1.324812 -2.038688 -2.170760
H 0.192969 -1.116041 -1.897528
H -3.180070 -0.915544 1.478877
H -0.682364 0.867674 -1.608383
H 1.060817 0.670606 2.252675
H 0.498383 0.896069 0.542033
H -4.562954 1.167956 1.559656
H -2.065375 2.937631 -1.526890
H -4.010771 3.105910 0.055149
H 0.917180 -3.109221 -0.726924
H 4.085085 -0.526176 -2.074754


