%chk=000011988.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011988

0 1
 S  -0.7765000      -1.722900      5.1000002E-03
 N  -0.9778000      0.8478000      6.3199997E-02
 N   -3.029800     -0.3210000      8.1799999E-02
 N   -3.855100      0.7879000     -0.1573000    
 C   0.6871000     -0.8113000     -5.9000002E-03
 C   0.3770000      0.5516000      2.9100001E-02
 C    2.013900      -1.269200     -4.3000001E-02
 C    1.434200       1.487300      2.7000001E-02
 C   -1.671800     -0.2663000      5.3900000E-02
 C    3.041400     -0.3224000     -4.4300001E-02
 C    2.757500       1.038500     -9.8000001E-03
 H    2.243100      -2.330000     -7.0000000E-02
 H    1.223900       2.552800      5.3800002E-02
 H    4.075500     -0.6556000     -7.2600000E-02
 H    3.569800       1.760200     -1.1300000E-02
 H   -3.499300      -1.222400      7.3399998E-02
 H   -4.737700      0.6352000      0.3292000    
 H   -4.081100      0.8049000      -1.151100    


%chk=000011988-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000011988

0 1
S -0.764252 -1.992469 -0.045036
N -1.094034 0.710302 -0.077515
N -3.151570 -0.515573 -0.118814
N -3.991285 0.625193 -0.151354
C 0.698108 -0.902251 -0.018655
C 0.296366 0.475407 -0.040917
C 2.051004 -1.281448 0.018002
C 1.289736 1.482058 -0.025453
C -1.777132 -0.418354 -0.084467
C 3.030146 -0.258549 0.032806
C 2.649783 1.107999 0.011280
H 2.348716 -2.334408 0.034968
H 0.983588 2.532249 -0.042398
H 4.090524 -0.530828 0.061347
H 3.422564 1.884223 0.023294
H -3.619492 -1.419822 -0.119364
H -3.855268 1.199395 0.693271
H -3.813202 1.181978 -0.999796


