%chk=000079567.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079567

0 1
 S   5.7000001E-03  -1.191200       0.000000    
 O   -3.812900       1.471000      3.0500000E-02
 O    3.808600       1.471700     -3.0500000E-02
 N   -5.118300     -0.4201000     -1.0600000E-02
 N    5.118300     -0.4164000      1.0600000E-02
 C   -1.371200     -1.9000000E-03 -6.6999998E-03
 C    1.370300     -7.0000002E-03  6.6000000E-03
 C   -2.726300     -0.7007000     -1.3200000E-02
 C    2.727100     -0.7025000      1.3200000E-02
 C   -3.912400      0.2480000     -4.3000001E-03
 C    3.910900      0.2490000      4.3000001E-03
 H   -1.289100      0.6373000      0.8792000    
 H   -1.281700      0.6388000     -0.8907000    
 H    1.289600      0.6336000     -0.8785000    
 H    1.282100      0.6349000      0.8901000    
 H   -2.817900      -1.349200      0.8675000    
 H   -2.817100      -1.333800     -0.9051000    
 H    2.820900      -1.350800     -0.8675000    
 H    2.820000      -1.335200      0.9053000    
 H   -5.996300      8.8000000E-02  2.0999999E-03
 H   -5.177500      -1.433300     -3.1399999E-02
 H    5.995200      9.3800001E-02 -2.0000001E-03
 H    5.179800      -1.429300      3.1399999E-02


%chk=000079567-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079567

0 1
S 0.000528 -1.193010 -0.000044
O -3.868191 1.469626 0.026080
O 3.867903 1.471401 -0.025954
N -5.200514 -0.427801 -0.017385
N 5.201265 -0.425269 0.017454
C -1.433655 0.045758 -0.003535
C 1.434156 0.046243 0.003460
C -2.752662 -0.738104 -0.002739
C 2.753578 -0.736954 0.002786
C -3.967219 0.207506 0.002287
C 3.967599 0.209327 -0.002216
H -1.354934 0.685352 0.890053
H -1.352812 0.681737 -0.899626
H 1.355480 0.685880 -0.890124
H 1.353239 0.682338 0.899483
H -2.800939 -1.398356 0.886224
H -2.804450 -1.396031 -0.893109
H 2.802137 -1.397233 -0.886139
H 2.805536 -1.394799 0.893203
H -6.042224 0.148018 -0.011807
H -5.289205 -1.442272 -0.036083
H 6.042643 0.151035 0.011914
H 5.290540 -1.439690 0.036115


