%chk=000066788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066788

0 1
 S    2.758100     -0.9175000     -8.3999999E-02
 O    3.415700     -0.7003000       1.395600    
 O    2.447300      -2.332200     -0.2103000    
 O    3.603200     -0.2497000      -1.059400    
 O   -4.029400      0.8557000      3.7999999E-02
 N   -2.364600     -0.8129000     -1.6700000E-02
 N    2.408500       2.110200     -5.5000000E-03
 C    1.244000     -3.8400002E-02 -4.2100001E-02
 C   -1.171200     -9.0200000E-02 -1.1800000E-02
 C    1.214500       1.355700     -8.1000002E-03
 C   5.1199999E-02 -0.7613000     -4.3900002E-02
 C   -1.200700       1.304000      2.2299999E-02
 C  -7.7999998E-03   2.027000      2.4200000E-02
 C   -3.675500     -0.3186000      8.9999996E-03
 C   -4.693200      -1.431600     -7.3000002E-03
 H   5.2800000E-02  -1.847800     -6.8300001E-02
 H   -2.106700       1.893200      4.8500001E-02
 H  -4.4300001E-02   3.113300      5.0999999E-02
 H   -2.259700      -1.825000     -4.2700000E-02
 H    3.311500       1.657600     -1.2000000E-02
 H    2.361400       3.120400      2.1700000E-02
 H    2.887400      -1.053900       2.149400    
 H   -4.593500      -2.009500     -0.9303000    
 H   -5.701900      -1.012300      4.2700000E-02
 H   -4.539400      -2.088100      0.8538000    


%chk=000066788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066788

0 1
S 2.752137 -0.959392 0.077079
O 2.920569 -0.968271 1.934864
O 2.498745 -2.480953 -0.408696
O 4.022251 -0.125632 -0.515435
O -4.071040 0.864581 -0.091064
N -2.421752 -0.803907 -0.000696
N 2.431028 2.193357 -0.149484
C 1.203022 0.043397 -0.023048
C -1.229041 -0.024929 -0.026132
C 1.258871 1.467890 -0.093381
C 0.007640 -0.699951 0.011404
C -1.225463 1.402114 -0.081227
C -0.021213 2.111825 -0.119476
C -3.745760 -0.358923 -0.031652
C -4.792170 -1.469265 0.015132
H 0.066577 -1.794436 0.051181
H -2.182701 1.926709 -0.104467
H -0.047281 3.206374 -0.172455
H -2.285014 -1.815752 0.045121
H 3.330678 1.710453 -0.249326
H 2.393692 3.208212 -0.189107
H 3.746355 -1.491755 2.154624
H -5.442666 -1.385086 -0.872256
H -5.431441 -1.320912 0.902564
H -4.368323 -2.487943 0.049731


