%chk=000060561.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060561

0 1
 S   -4.761300      1.4700000E-02 -4.0000002E-03
 O   -2.012500     -0.4961000       1.970600    
 O    1.599500      -2.133300      0.3924000    
 O    1.444400      -3.945900       1.800900    
 O   -5.709600     -0.4245000      -2.433700    
 N  -0.9641000      -1.709800      0.2959000    
 C   -1.967200      0.4314000     -0.2748000    
 C   -1.940300       1.849300      0.3378000    
 C   -3.262600      8.6000003E-02  -1.036900    
 C  -0.5523000       2.369500      0.6215000    
 C   -1.662500     -0.6218000      0.7988000    
 C   0.1205000       3.081700     -0.3591000    
 C   2.5599999E-02   2.125300       1.857600    
 C  -0.5673000      -2.831900       1.114400    
 C    1.403600       3.561900     -9.6699998E-02
 C    1.308500       2.605800       2.119900    
 C    1.997500       3.324000       1.142800    
 C   0.9280000      -3.043600       1.149800    
 C   -5.970300     -0.3087000      -1.242400    
 C    3.024600      -2.268200      0.3759000    
 C    3.608000      -1.196900     -0.4980000    
 C   -7.363600     -0.4277000     -0.6932000    
 C    3.794400      -1.440500      -1.854200    
 C    3.956200      2.9899999E-02  5.6000002E-02
 C    4.336400     -0.4447000      -2.666700    
 C    4.498200       1.025700     -0.7566000    
 C    4.688200      0.7883000      -2.118000    
 H   -1.158000      0.3847000      -1.018500    
 H   -2.537800       1.896900       1.257600    
 H   -2.430300       2.548800     -0.3535000    
 H   -3.147200     -0.8915000      -1.519300    
 H   -3.418100      0.8285000      -1.827600    
 H  -0.7211000      -1.735900     -0.6900000    
 H  -0.3320000       3.269500      -1.328500    
 H  -0.5015000       1.577700       2.632500    
 H   -1.027300      -3.721600      0.6745000    
 H  -0.9229000      -2.698300       2.139900    
 H    1.941200       4.119400     -0.8581000    
 H    1.770600       2.421800       3.085300    
 H    2.996900       3.697100       1.346600    
 H    3.416600      -2.179600       1.396900    
 H    3.298300      -3.259800     -5.9000002E-03
 H   -7.663200      0.5075000     -0.2121000    
 H   -7.421900      -1.256100      1.8400000E-02
 H   -8.058500     -0.6302000      -1.513800    
 H    3.521600      -2.396500      -2.292600    
 H    3.810200      0.2262000       1.114600    
 H    4.483800     -0.6291000      -3.726800    
 H    4.772500       1.986000     -0.3297000    
 H    5.109800       1.564000      -2.750600    


%chk=000060561-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060561

0 1
S -5.056978 -0.520021 -0.217426
O -2.560293 -1.494414 1.618440
O 2.073816 -2.061779 0.487171
O 2.203418 -3.216715 2.512413
O -5.307732 1.425923 -2.153494
N -0.529682 -1.772619 0.530901
C -2.172194 -0.208353 -0.449396
C -2.328621 1.227049 0.147491
C -3.446633 -0.666118 -1.199494
C -1.021423 1.809182 0.664249
C -1.783951 -1.209124 0.652443
C -0.215668 2.633511 -0.164027
C -0.573793 1.533811 1.983754
C 0.001943 -2.667661 1.559890
C 1.005290 3.166902 0.309101
C 0.647083 2.062516 2.459734
C 1.442639 2.881427 1.623737
C 1.524881 -2.686263 1.607727
C -5.860840 0.846909 -1.188824
C 3.574615 -1.973856 0.432525
C 3.936749 -1.043337 -0.699053
C -7.249617 1.182893 -0.678647
C 4.789716 -1.483557 -1.740302
C 3.445694 0.287873 -0.720055
C 5.157294 -0.605727 -2.786161
C 3.802912 1.160255 -1.770238
C 4.662831 0.718093 -2.803984
H -1.365616 -0.179741 -1.212483
H -3.075917 1.164625 0.959017
H -2.750761 1.873021 -0.645544
H -3.373764 -1.722451 -1.505019
H -3.609494 -0.028031 -2.088334
H 0.115896 -1.474457 -0.203999
H -0.555596 2.869723 -1.180389
H -1.194360 0.910655 2.639781
H -0.340123 -3.712685 1.411083
H -0.387202 -2.363705 2.548575
H 1.604230 3.818606 -0.338372
H 0.972091 1.846124 3.483818
H 2.383525 3.302097 1.996401
H 3.911640 -1.608456 1.419904
H 3.972420 -2.992583 0.283788
H -7.290227 2.254393 -0.412726
H -7.533787 0.577620 0.196536
H -7.981942 1.016965 -1.489548
H 5.166816 -2.513656 -1.735732
H 2.776854 0.637626 0.075006
H 5.820508 -0.955558 -3.584845
H 3.412423 2.183906 -1.780156
H 4.942629 1.398561 -3.615936


