%chk=000012704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012704

0 1
 S   -2.100400     -0.5636000      0.3180000    
 S  -0.9066000       2.031200       1.110600    
 N   0.5664000     -7.2899997E-02  9.8600000E-02
 C    1.823000      0.6739000      0.1947000    
 C   0.7288000      -1.430300     -0.4310000    
 C    2.117300       1.421800      -1.094600    
 C    1.021300      -2.422500      0.6819000    
 C  -0.6704000      0.4775000      0.4892000    
 C   -2.579300     -0.1151000      -1.367500    
 H    1.788300       1.381000       1.028300    
 H    2.640800     -2.0300001E-02  0.4197000    
 H  -0.1533000      -1.752400     -0.9878000    
 H    1.552400      -1.434500      -1.154600    
 H    2.214200      0.7342000      -1.940900    
 H    1.321900       2.133400      -1.337100    
 H    3.055100       1.978600      -1.002900    
 H    1.943500      -2.166300       1.213000    
 H   0.2125000      -2.449000       1.418800    
 H    1.138500      -3.429500      0.2695000    
 H   -3.423400     -0.7362000      -1.678600    
 H   -1.753000     -0.2762000      -2.064600    
 H   -2.886000      0.9332000      -1.412300    


%chk=000012704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012704

0 1
S -1.766933 -0.987970 -0.840052
S -0.985269 1.963705 -0.156728
N 0.742866 -0.157753 -0.220784
C 1.846548 0.749723 0.199032
C 1.125929 -1.577211 -0.451453
C 2.540122 1.422449 -1.003079
C 1.024133 -2.442584 0.823366
C -0.531019 0.328219 -0.373513
C -3.315227 0.043949 -1.042619
H 1.417263 1.519051 0.863336
H 2.565931 0.143117 0.780426
H 0.491673 -1.995603 -1.253093
H 2.164094 -1.574613 -0.831857
H 2.959512 0.674421 -1.700574
H 1.818440 2.052260 -1.549805
H 3.367161 2.065558 -0.650859
H 1.668128 -2.045340 1.628560
H -0.015032 -2.473940 1.191786
H 1.347244 -3.476951 0.605392
H -4.103162 -0.676279 -1.317080
H -3.163308 0.790951 -1.834423
H -3.547494 0.550840 -0.095577


