%chk=000086168.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086168

0 1
 S  -0.3662000       1.285800     -0.6750000    
 O   -4.331500     -0.1646000      0.9286000    
 N   -2.862100      0.2738000     -0.8544000    
 N    1.376300     -0.7464000     -0.6837000    
 C   -1.475000     -0.1497000     -0.7275000    
 C   -1.845100     -0.6894000      0.6698000    
 C   -3.263500     -0.1802000      0.3621000    
 C    1.191800      0.5233000     -0.2576000    
 C    2.128200       1.241500      0.4686000    
 C    3.331300      0.6164000      0.7774000    
 C    2.557600      -1.321100     -0.3647000    
 C    3.557900     -0.6893000      0.3563000    
 H   -1.222900     -0.9156000      -1.468200    
 H   -1.390800     -0.2088000       1.541000    
 H   -1.783100      -1.776300      0.7757000    
 H   -3.384600      0.7419000      -1.582000    
 H    1.948200       2.260300      0.7961000    
 H    4.090900       1.145500       1.345100    
 H    4.488100      -1.196400      0.5855000    
 H    2.684900      -2.339700     -0.7161000    


%chk=000086168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086168

0 1
S -0.369249 0.862198 1.321111
O -4.077686 -0.164017 -1.405376
N -1.768232 -0.555047 -0.751004
N 1.194055 -0.575968 -0.433421
C -1.461409 -0.565060 0.680202
C -2.981648 -0.306354 0.963305
C -3.142086 -0.304043 -0.597265
C 1.208949 0.402886 0.513011
C 2.388597 1.096214 0.892328
C 3.597279 0.752457 0.255968
C 2.379136 -0.904046 -1.031747
C 3.600749 -0.270515 -0.725640
H -1.008708 -1.495464 1.048757
H -3.221376 0.656296 1.441206
H -3.507996 -1.127436 1.473497
H -1.125190 -0.664193 -1.537515
H 2.353181 1.871793 1.663257
H 4.523774 1.270076 0.525439
H 4.520312 -0.566910 -1.238122
H 2.327948 -1.701867 -1.780992


