%chk=000047359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047359

0 1
 S    2.112900      -1.119500     -0.1603000    
 O   -1.288400       2.029800      0.2408000    
 O    5.728700      0.2637000      2.5800001E-02
 O    4.957000      -1.774100     -0.2403000    
 N  -0.2872000     -7.4800000E-02 -3.0400001E-02
 N    1.612000       1.395800      0.1633000    
 N    4.754500     -0.5359000     -8.0300003E-02
 C   -2.693000      0.1879000      2.7600000E-02
 C   -1.375800      0.8015000      8.1400000E-02
 C    1.096100      0.2272000      1.1000000E-02
 C   -3.787700      0.9230000     -0.4273000    
 C   -2.861600      -1.136400      0.4322000    
 C    3.444300     -4.7600001E-02 -1.9900000E-02
 C   -5.051200      0.3338000     -0.4780000    
 C   -4.125100      -1.725400      0.3816000    
 C    2.984400       1.241800      0.1465000    
 C   -5.219900     -0.9907000     -7.3799998E-02
 H  -0.4575000      -1.062200     -0.1973000    
 H   -3.677300       1.954600     -0.7516000    
 H   -2.047900      -1.736300      0.8287000    
 H   -5.903500      0.9057000     -0.8331000    
 H   -4.258700      -2.753800      0.7045000    
 H    3.607000       2.119900      0.2615000    
 H   -6.203800      -1.449000     -0.1116000    


%chk=000047359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047359

0 1
S 2.283689 -1.228109 -0.541046
O -1.163776 1.994661 -0.169285
O 5.800928 0.552883 0.196380
O 5.262983 -1.534710 -0.607795
N -0.279156 -0.193896 -0.098584
N 1.620872 1.211662 0.445852
N 4.949684 -0.355911 -0.161933
C -2.717739 0.127970 -0.040853
C -1.355443 0.758615 -0.095447
C 1.071937 0.085226 -0.000829
C -3.805780 0.893028 -0.537144
C -2.961560 -1.160634 0.506618
C 3.553091 -0.034584 -0.059226
C -5.112830 0.367374 -0.512992
C -4.273013 -1.682125 0.534225
C 3.003101 1.154706 0.410674
C -5.349002 -0.923606 0.017472
H -0.540952 -1.167276 -0.272038
H -3.602488 1.894196 -0.930873
H -2.151523 -1.743853 0.962420
H -5.946133 0.960459 -0.903823
H -4.457167 -2.670409 0.968423
H 3.593949 2.004731 0.752433
H -6.365373 -1.331397 0.038370


