%chk=000113697.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113697

0 1
 S    1.233900      -1.775600      0.3567000    
 N   0.4630000       2.212000     -7.2800003E-02
 N    3.688700      -1.365100       1.185500    
 N    3.344700      -1.115500      -1.137700    
 C   0.3973000     -0.2603000     -0.2552000    
 C    1.033300      0.9628000      0.4303000    
 C   -1.106100     -0.3839000     -9.2900001E-02
 C   -1.842100     -0.9927000      -1.092100    
 C   -1.701800      0.1158000       1.049900    
 C   0.6809000       2.329100      -1.514200    
 C    1.044100       3.357400      0.6267000    
 C   -3.224300      -1.106000     -0.9431000    
 C   -3.084000      2.4999999E-03   1.199100    
 C   -3.845200     -0.6084000      0.2025000    
 C    2.917700      -1.372000      5.7300001E-02
 H   0.6283000     -0.2414000      -1.326100    
 H   0.9134000      0.9073000       1.519900    
 H    2.115400      0.9930000      0.2546000    
 H   -1.368400      -1.383500      -1.987800    
 H   -1.146600      0.5770000       1.858100    
 H   5.2800000E-02   1.638600      -2.084600    
 H    1.729800       2.178800      -1.795000    
 H   0.3861000       3.326900      -1.862400    
 H   0.5783000       4.290600      0.2909000    
 H    2.125800       3.435600      0.4684000    
 H   0.8567000       3.286800       1.704100    
 H   -3.817100      -1.581800      -1.718900    
 H   -3.567500      0.3851000       2.093200    
 H   -4.921300     -0.6977000      0.3192000    
 H    4.678500      -1.147400       1.148600    
 H    3.291500      -1.574000       2.095000    
 H    4.348000     -0.9066000      -1.092500    


%chk=000113697-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113697

0 1
S 1.452346 -1.290333 1.186363
N 0.403896 2.577842 -0.027424
N 3.763502 -2.540812 0.619400
N 2.899866 -1.107130 -1.148622
C 0.548250 0.061037 0.143772
C 1.000200 1.430119 0.694242
C -0.939264 -0.236103 0.123105
C -1.415114 -1.292953 -0.698225
C -1.875501 0.498512 0.892830
C 0.753089 2.616839 -1.462640
C 0.704557 3.853624 0.651937
C -2.787443 -1.615399 -0.743959
C -3.251195 0.176180 0.851422
C -3.713173 -0.881645 0.035886
C 2.864862 -1.654411 0.034569
H 1.011240 -0.123317 -0.845616
H 0.719418 1.517758 1.761757
H 2.119050 1.446426 0.652025
H -0.695758 -1.868233 -1.294258
H -1.535580 1.342274 1.499805
H 0.377050 1.715499 -1.974780
H 1.855748 2.683700 -1.643453
H 0.270654 3.493881 -1.929514
H 0.182302 4.680358 0.137830
H 1.797775 4.098980 0.675692
H 0.343357 3.816940 1.695994
H -3.136098 -2.434287 -1.383688
H -3.963275 0.755752 1.450292
H -4.780481 -1.129135 0.003924
H 4.565457 -2.882510 0.093322
H 3.629579 -2.872362 1.573334
H 3.714485 -1.349689 -1.740622


