%chk=000121929.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121929

0 1
 S   -1.880000      -1.195600      9.9500000E-02
 O   -2.168100      -1.938200      -1.114100    
 O   -1.977600      -1.838300       1.397500    
 N  -0.9014000       1.642800     -8.8699996E-02
 N   -2.782000      0.1602000      0.1131000    
 N    4.515800      0.6926000      0.9006000    
 C  -0.1965000     -0.6881000     -4.8200000E-02
 C   0.1027000      0.6714000     -0.1255000    
 C    2.453900      6.9899999E-02 -0.2788000    
 C    1.448400       1.040400     -0.2419000    
 C   0.7940000      -1.670200     -8.3600000E-02
 C   -2.238100       1.334500      2.4000000E-02
 C    2.126200      -1.283300     -0.1999000    
 C    3.882000      0.4837000     -0.4021000    
 C   -3.179300       2.517900      4.8099998E-02
 H    1.713100       2.094400     -0.3025000    
 H   0.5434000      -2.724900     -2.1700000E-02
 H  -0.6041000       2.610900     -0.1503000    
 H    2.901200      -2.044700     -0.2262000    
 H    4.447600     -0.2687000     -0.9651000    
 H    3.953200       1.409900     -0.9849000    
 H   -2.938800       3.155100      0.9040000    
 H   -4.219000       2.188800      0.1294000    
 H   -3.059200       3.096300     -0.8725000    
 H    5.484000      0.9782000      0.7591000    
 H    4.555400     -0.1923000       1.405600    


%chk=000121929-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121929

0 1
S -2.021521 -1.342447 -0.333962
O -2.375589 -1.521865 -1.909957
O -2.345016 -2.552872 0.693602
N -0.835834 1.517808 -0.125471
N -2.906920 0.249535 0.247416
N 4.235551 1.566129 0.310759
C -0.216518 -0.873475 -0.174315
C 0.139667 0.494662 -0.169545
C 2.502107 -0.173603 -0.149085
C 1.516202 0.831035 -0.160473
C 0.752121 -1.892315 -0.128894
C -2.193983 1.367680 0.159886
C 2.115371 -1.540236 -0.110608
C 3.983487 0.204895 -0.188792
C -2.945169 2.661477 0.419166
H 1.854104 1.874766 -0.147651
H 0.434121 -2.939529 -0.102006
H -0.483765 2.475505 -0.176975
H 2.880312 -2.324024 -0.073216
H 4.561712 -0.587908 0.340376
H 4.317468 0.171182 -1.245170
H -2.494735 3.224860 1.256835
H -3.989442 2.425710 0.667487
H -2.937633 3.300422 -0.484013
H 5.070846 2.017361 -0.067154
H 4.159856 1.667948 1.326659


