%chk=000066812.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066812

0 1
 S    2.508700      2.6000000E-03 -8.8200003E-02
 O    2.973300      1.7000000E-03   1.479300    
 O    2.946200      -1.261700     -0.6614000    
 O    2.918200       1.266800     -0.6798000    
 N   -2.019300       2.439900      1.3900000E-02
 N   -2.013500      -2.444000      7.7999998E-03
 C   -2.026300     -1.8000000E-03  1.0600000E-02
 C   0.7628000      1.3000000E-03 -4.8599999E-02
 C   -1.330400       1.207000     -2.0999999E-03
 C   -1.327700      -1.209000     -6.2000002E-03
 C   6.4199999E-02   1.208500     -3.1900000E-02
 C   6.6900000E-02  -1.207400     -3.5799999E-02
 C   -3.523100     -4.0000002E-03  4.2399999E-02
 H   0.5977000       2.155800     -3.4000002E-02
 H   0.6033000      -2.153100     -4.1299999E-02
 H   -3.929800     -0.8648000      0.5819000    
 H   -3.932400      0.8544000      0.5837000    
 H   -3.922100     -3.5000001E-03 -0.9768000    
 H   -1.486400       3.300300     -2.2000000E-03
 H   -3.018700       2.490200     -0.1190000    
 H   -3.012200      -2.496200     -0.1283000    
 H   -1.478000      -3.302700     -1.3400000E-02
 H    2.691100     -0.7844000       2.003400    


%chk=000066812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066812

0 1
S 2.531993 -0.090826 -0.047468
O 2.765058 -0.135602 1.801204
O 3.079993 -1.489390 -0.651194
O 3.129150 1.313836 -0.589138
N -2.026550 2.447281 -0.032894
N -2.113899 -2.465536 -0.106987
C -2.118518 -0.008781 -0.008508
C 0.665718 -0.058157 -0.031180
C -1.374655 1.213151 -0.025024
C -1.419316 -1.255675 -0.062139
C 0.050851 1.194985 -0.024645
C 0.006160 -1.288029 -0.062224
C -3.634469 0.020107 0.062789
H 0.641622 2.115545 -0.042416
H 0.563238 -2.228377 -0.109056
H -4.034853 -0.867875 0.585543
H -3.996329 0.889503 0.642545
H -4.111061 0.062891 -0.937751
H -1.486662 3.307139 -0.006348
H -3.032326 2.518710 -0.141794
H -3.120951 -2.498630 -0.221985
H -1.604177 -3.343990 -0.105678
H 3.752484 -0.156378 1.968348


