%chk=000105422.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105422

0 1
S -1.212474 2.713471 0.790552
O -1.976427 3.873173 0.394968
O -0.310452 2.814447 1.918871
O 1.761328 -1.727365 -2.537783
O 0.132821 -3.493166 1.073030
N -2.386449 1.489893 1.175593
N 2.178820 -2.806614 0.071762
N 1.386600 -3.571748 0.540421
C 0.538312 0.995727 -0.481227
C -0.412384 2.029879 -0.582686
C 0.884979 0.274253 -1.646483
C 2.298518 -1.364558 -0.230082
C 1.640847 -1.002388 -1.578712
C 1.165761 0.618219 0.789004
C -0.842010 2.460212 -1.844882
C 0.432538 0.708202 -2.904774
C 1.934529 -0.470581 0.916682
C -0.395688 1.825774 -3.007213
C -1.905133 0.133735 1.235167
C -1.937386 -0.620778 0.044804
C -1.340834 -0.399892 2.410472
C -1.261194 -1.837811 -0.018755
C -0.671780 -1.622155 2.356024
C -0.592153 -2.286355 1.125194
H 3.419470 -1.227269 -0.413010
H 0.997813 1.282253 1.659160
H -1.547889 3.301286 -1.924030
H 0.732323 0.149297 -3.800327
H 2.378985 -0.748294 1.877622
H -0.715770 2.185576 -3.985327
H -3.125263 1.706349 1.855762
H -2.465501 -0.234131 -0.828278
H -1.388698 0.157048 3.347209
H -1.245429 -2.431372 -0.933041
H -0.204429 -2.053615 3.240712


%chk=000105422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105422

0 1
S -1.214225 2.907688 0.749061
O -1.679073 4.374323 0.151640
O -0.096462 2.880622 1.986908
O 2.474221 -1.288053 -2.881135
O 0.233651 -3.415289 1.665839
N -2.959570 1.115991 1.262435
N 1.984283 -2.792583 -0.473022
N 1.383819 -3.721623 -0.053919
C 0.585195 0.991397 -0.643624
C -0.346319 2.056299 -0.761084
C 1.046131 0.392584 -1.870545
C 2.394767 -1.327009 -0.443612
C 1.979581 -0.750735 -1.853980
C 1.086860 0.506136 0.647469
C -0.784217 2.540906 -2.006888
C 0.619205 0.890502 -3.128959
C 1.896383 -0.587850 0.763330
C -0.277955 1.972141 -3.200148
C -2.250167 -0.031734 1.456087
C -2.090708 -0.907870 0.306546
C -1.633630 -0.441971 2.710230
C -1.322606 -2.057003 0.377127
C -0.856292 -1.586458 2.783976
C -0.616495 -2.396951 1.600576
H 3.500231 -1.402677 -0.461596
H 0.798189 1.076303 1.539012
H -1.493228 3.377190 -2.024663
H 1.008434 0.415285 -4.035175
H 2.251765 -0.924813 1.741980
H -0.592363 2.368141 -4.170554
H -3.097057 1.640780 2.155681
H -2.614976 -0.619926 -0.610882
H -1.775932 0.190028 3.595621
H -1.224970 -2.728941 -0.482803
H -0.370169 -1.894128 3.715469


