%chk=000126114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126114

0 1
 S   0.3475000     -0.7693000      -1.237800    
 S  -0.5121000      -1.084800      0.6016000    
 O    3.941200      0.1761000      -1.117900    
 N    2.554200       2.361500      0.1897000    
 N    3.435700     -0.7690000      0.9428000    
 N    4.514900      -1.628100      0.9051000    
 N   -2.891000      -1.106600     -0.6256000    
 C    2.017400       1.000800      0.1001000    
 C    1.002600      0.9193000      -1.044100    
 C    3.230100      9.8499998E-02 -0.1172000    
 C   -2.172600     -0.4891000      0.3392000    
 C   -2.651000      0.5573000       1.111800    
 C   -3.949200      0.9976000      0.8796000    
 C   -4.719000      0.3870000     -0.1044000    
 C   -4.148600     -0.6513000     -0.8229000    
 H    1.543100      0.7917000       1.063100    
 H   0.1690000       1.613200     -0.8871000    
 H    1.471000       1.188400      -1.997900    
 H    3.028900       2.610700     -0.6772000    
 H    3.250800       2.414100      0.9319000    
 H    2.828600     -0.8020000       1.755600    
 H   -2.047000       1.032600       1.878000    
 H   -4.360400       1.815300       1.463900    
 H   -5.733200      0.7139000     -0.3028000    
 H    5.063000      -1.451300       1.746000    
 H    4.144700      -2.572400       1.004200    
 H   -4.706900      -1.160500      -1.601400    


%chk=000126114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126114

0 1
S 0.398504 -1.515130 0.216445
S -0.720556 -0.351129 1.821258
O 4.571133 0.759833 -0.409649
N 2.275364 2.065878 -0.910635
N 3.566698 -0.974406 0.761849
N 4.777974 -1.699102 0.959183
N -2.240331 0.466692 -0.343407
C 2.116708 0.855564 -0.108114
C 1.097833 -0.077714 -0.826833
C 3.523216 0.216748 0.063706
C -2.293017 0.085596 0.956466
C -3.488185 0.056262 1.718212
C -4.683459 0.470047 1.089553
C -4.648424 0.864608 -0.268820
C -3.408214 0.834263 -0.945718
H 1.710496 1.067667 0.906583
H 0.222195 0.504864 -1.146716
H 1.551534 -0.573735 -1.704698
H 3.251795 2.263645 -1.154561
H 1.708324 2.868770 -0.642300
H 2.700871 -1.449474 1.045926
H -3.479790 -0.293194 2.754522
H -5.625939 0.463974 1.646785
H -5.554468 1.180126 -0.794286
H 5.381118 -1.202860 1.631321
H 5.272341 -1.811306 0.061544
H -3.332022 1.117113 -2.001315


