%chk=000132463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132463

0 1
 S    2.567700     -0.4532000     -0.7984000    
 O   -1.576600      -3.142100       1.560500    
 O   -3.212800     -0.1151000      -1.652400    
 O  -0.5862000      -4.250800     -0.1434000    
 O    5.384500       1.826300      -1.499400    
 O    4.136900       2.739500      0.1607000    
 N   -2.040500     -0.9530000      0.1687000    
 N    5.610700      0.6849000       1.668300    
 N   -6.006800       3.792400      0.2350000    
 C   -1.306300      -1.973900     -0.5423000    
 C   1.3300000E-02  -1.431600      -1.108800    
 C    1.048600      -1.093000     -3.3700000E-02
 C   -3.544600      0.8897000      0.5265000    
 C   -2.941100     -0.1016000     -0.4549000    
 C   -4.546100       1.853900     -0.1090000    
 C    3.521500     -0.1730000      0.7109000    
 C   -1.098200      -3.226700      0.2957000    
 C    4.885600      0.4541000      0.4173000    
 C   -5.073200       2.884000      0.8917000    
 C    4.763700       1.789200     -0.2933000    
 H   -1.937800      -2.286400      -1.384100    
 H   0.4357000      -2.187400      -1.784400    
 H  -0.1961000     -0.5417000      -1.716800    
 H    1.304400      -1.983200      0.5488000    
 H   0.6520000     -0.3330000      0.6469000    
 H   -1.870500     -0.8492000       1.165200    
 H   -2.721500       1.457700      0.9773000    
 H   -4.035600      0.3225000       1.326600    
 H   -4.066400       2.371200     -0.9502000    
 H   -5.381200       1.280200     -0.5317000    
 H    3.654900      -1.131600       1.224800    
 H    2.935800      0.4834000       1.365400    
 H    5.482100     -0.2280000     -0.2002000    
 H   -5.578000       2.379400       1.722700    
 H   -4.242400       3.464300       1.307000    
 H    6.510100       1.122600       1.472700    
 H    5.092200       1.333700       2.259300    
 H   -6.798200       3.265000     -0.1315000    
 H   -6.388900       4.439400      0.9235000    
 H   -1.445000      -3.976700       2.058800    
 H    5.274400       2.695300      -1.940900    


%chk=000132463-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132463

0 1
S 3.152788 -1.754946 0.122324
O -1.935825 -3.648273 1.274108
O -1.448692 0.321853 -1.440102
O -1.051004 -4.817296 -0.530503
O 1.004524 1.180513 -1.581902
O 0.693386 1.170442 0.723903
N -1.679606 -1.289435 0.200055
N 3.489161 2.424316 0.376311
N -3.224422 4.734852 0.671016
C -1.040639 -2.355073 -0.591854
C 0.504957 -2.181859 -0.794912
C 1.317305 -2.094519 0.508687
C -2.637513 0.929923 0.643576
C -1.867947 -0.017715 -0.274699
C -2.476545 2.411809 0.255369
C 3.428213 0.001648 0.783446
C -1.331707 -3.727842 0.004524
C 2.989541 1.139488 -0.163504
C -3.402990 3.328608 1.078930
C 1.456600 1.155582 -0.286070
H -1.478504 -2.343518 -1.609707
H 0.850085 -3.038690 -1.402617
H 0.660714 -1.272496 -1.395720
H 1.299619 -3.043122 1.072930
H 0.960442 -1.279690 1.159382
H -2.019490 -1.542867 1.131475
H -2.304134 0.772173 1.687799
H -3.711187 0.645810 0.601924
H -1.429605 2.723850 0.409031
H -2.697864 2.527783 -0.823637
H 4.517992 0.071589 0.931500
H 2.922313 0.089739 1.760812
H 3.424921 0.981354 -1.162849
H -4.455811 2.957161 0.980322
H -3.137447 3.248601 2.151566
H 3.523688 3.181363 -0.313734
H 3.015878 2.708797 1.241834
H -3.415409 4.906279 -0.321264
H -3.683865 5.420710 1.276803
H -2.085778 -4.563251 1.633822
H -0.016043 1.033849 -1.629474


