%chk=000118645.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118645

0 1
 S   0.3228000      -1.889600     -2.1700000E-02
 S    3.282200      -2.357300     -0.2910000    
 O   0.4925000       1.897900     -0.4548000    
 N    1.959900      6.1600000E-02 -0.4173000    
 N   -2.696800     -0.9288000      0.2036000    
 C   -1.645000     -1.8000000E-03 -1.3700000E-02
 C  -0.3391000     -0.3106000     -0.1236000    
 C   0.7206000      0.6999000     -0.3506000    
 C    3.192300      0.8137000     -0.6381000    
 C    1.972200      -1.319900     -0.2649000    
 C   -2.024400       1.416600     -0.1270000    
 C   -4.008500     -0.4575000      0.2977000    
 C   -2.434600      -2.365300      0.3305000    
 C   -3.305900       1.808200     -2.8200001E-02
 C   -4.350200      0.8353000      0.1945000    
 C    3.819900       1.236000      0.6545000    
 C    5.042000      0.8617000       1.050000    
 H    2.944600       1.720300      -1.203200    
 H    3.886500      0.2395000      -1.259900    
 H   -1.392000       2.265500     -0.2915000    
 H   -4.760000      -1.221000      0.4644000    
 H   -1.849500      -2.601300       1.224800    
 H   -2.048100      -2.798600     -0.5973000    
 H   -3.377900      -2.906300      0.4918000    
 H   -3.588900       2.851800     -0.1119000    
 H   -5.378100       1.166400      0.2724000    
 H    3.242500       1.891100       1.302000    
 H    5.440400       1.204700       1.998500    
 H    5.664400      0.2158000      0.4409000    


%chk=000118645-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118645

0 1
S 0.373402 -2.016510 -0.338032
S 3.404221 -2.377476 -0.814095
O 0.700462 1.937793 -0.271408
N 2.020758 0.008686 -0.513502
N -2.743530 -0.873948 0.240158
C -1.692795 0.049357 -0.028494
C -0.329595 -0.310304 -0.172395
C 0.749681 0.662669 -0.310053
C 3.242168 0.850342 -0.632392
C 2.068031 -1.370224 -0.569526
C -2.105263 1.436775 -0.160025
C -4.077005 -0.473932 0.253567
C -2.471053 -2.291365 0.591118
C -3.436448 1.821255 -0.119775
C -4.464492 0.839715 0.069520
C 3.821249 1.201045 0.725568
C 5.056096 0.826270 1.138258
H 2.928625 1.769193 -1.159908
H 3.969733 0.288587 -1.241269
H -1.301586 2.162202 -0.304344
H -4.801483 -1.271860 0.432321
H -1.693039 -2.345882 1.368460
H -2.146078 -2.870091 -0.289011
H -3.392813 -2.742331 0.989040
H -3.699407 2.876621 -0.241575
H -5.524349 1.101255 0.087091
H 3.175752 1.811846 1.371566
H 5.444724 1.121064 2.119747
H 5.707832 0.207250 0.510290


