%chk=000072561.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072561

0 1
 S   -6.435400      0.6142000     -8.7399997E-02
 S    2.219700      -2.455200      7.1000002E-02
 O   -6.412300       1.935500     -0.6831000    
 O   -7.688200     -3.6800001E-02  0.2415000    
 O    4.379800     -0.3106000     -6.6000000E-03
 O    7.361400       1.514400     -9.8600000E-02
 O    6.974500     -0.6459000     -5.0700001E-02
 N   -3.377700     -5.8400001E-02  0.1284000    
 N   -2.025600     -5.3900000E-02  0.1085000    
 N   0.7442000     -0.3327000      6.1299998E-02
 N    6.546000      0.5459000     -6.4300001E-02
 C   -5.498100     -0.4842000      -1.120200    
 C   -5.426600      0.6383000       1.373300    
 C   -4.031600     -7.8500003E-02  -1.188600    
 C   -3.968700      0.9286000       1.042700    
 C   -1.521800      -1.244400      0.1173000    
 C  -7.9300001E-02  -1.429400      9.4999999E-02
 C    1.989000     -0.7550000      4.6000000E-02
 C   0.5175000      -2.661100      0.1053000    
 C    3.094000      0.1322000      1.0200000E-02
 C    3.059200       1.508200     -1.3500000E-02
 C    5.172100      0.7926000     -4.1099999E-02
 C    4.407800       1.936200     -4.6500001E-02
 H   -5.954300     -0.4637000      -2.114700    
 H   -5.607400      -1.494000     -0.7103000    
 H   -5.532500     -0.3360000       1.862200    
 H   -5.835300       1.405100       2.038400    
 H   -3.522600     -0.7996000      -1.840400    
 H   -3.928200      0.9029000      -1.668700    
 H   -3.863800       1.936700      0.6220000    
 H   -3.410300      0.9228000       1.987500    
 H   -2.146600      -2.157400      0.1434000    
 H   6.6699997E-02  -3.643300      0.1302000    
 H    2.178600       2.135700     -8.0000004E-03
 H    4.770600       2.954100     -7.1599998E-02


%chk=000072561-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072561

0 1
S -5.902027 0.169895 1.068878
S 2.085756 -2.412724 -0.654957
O -7.103018 0.753149 0.112452
O -6.164742 -0.320823 2.602374
O 4.174899 -0.383091 0.310272
O 7.158499 1.309549 1.350170
O 6.816770 -0.876124 0.708486
N -3.585278 0.414551 -1.080639
N -2.255861 0.165336 -0.823696
N 0.558794 -0.219892 -0.360895
N 6.409711 0.327793 0.943078
C -5.070296 -1.268008 0.045657
C -4.472300 1.488790 1.004524
C -4.605006 -0.643676 -1.285113
C -4.067186 1.670775 -0.471952
C -1.723255 -1.029195 -1.017981
C -0.293384 -1.241864 -0.803039
C 1.812129 -0.632872 -0.228244
C 0.341923 -2.475428 -1.011591
C 2.897947 0.204032 0.209330
C 2.963808 1.555363 0.576606
C 5.023519 0.640232 0.748168
C 4.324073 1.832546 0.921233
H -5.875585 -2.010738 -0.068586
H -4.260161 -1.643478 0.689928
H -3.671060 1.070608 1.633913
H -4.920146 2.388233 1.455784
H -4.212120 -1.426775 -1.957839
H -5.473965 -0.187034 -1.792656
H -4.930533 2.046010 -1.049112
H -3.249029 2.406996 -0.529551
H -2.285089 -1.914574 -1.361589
H -0.106521 -3.406660 -1.353002
H 2.118916 2.239148 0.585746
H 4.754617 2.773249 1.253742


