%chk=000027742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027742

0 1
 S    3.043800       2.277400      -1.123800    
 N  -0.2453000      -1.519500     -2.4200000E-02
 N    1.689800     -0.1497000      0.1710000    
 N    1.788000      -2.527700      1.7600000E-02
 C   -1.305100     -0.5893000      1.3200000E-02
 C    3.142800     -9.9600002E-02  0.2528000    
 C    1.126400      -1.314000      5.6699999E-02
 C   -2.497600     -0.8642000     -0.6559000    
 C   -1.161000      0.6046000      0.7199000    
 C    3.576400       1.354800      0.3449000    
 C   -3.546200      5.4800000E-02 -0.6182000    
 C   -2.209600       1.523600      0.7575000    
 C   -3.402300       1.248800      8.8500001E-02
 H  -0.5469000      -2.456000     -0.2811000    
 H    3.491700     -0.6223000       1.151500    
 H    3.607200     -0.5715000     -0.6224000    
 H   -2.622800      -1.790400      -1.211000    
 H  -0.2644000      0.8402000       1.283700    
 H    3.140200       1.833400       1.227900    
 H    4.665600       1.420300      0.4246000    
 H   -4.475100     -0.1592000      -1.138900    
 H   -2.101000       2.449700       1.314500    
 H   -4.219500       1.963400      0.1194000    
 H    1.277700      -3.400600     -6.2399998E-02
 H    2.797700      -2.596600      7.3399998E-02
 H    1.726300       2.091900     -0.9529000    


%chk=000027742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027742

0 1
S 3.271346 2.438881 -0.871308
N -0.244931 -1.462193 -0.336265
N 1.722504 -0.162907 0.032948
N 1.790852 -2.575471 -0.117990
C -1.289614 -0.519322 -0.151472
C 3.162737 -0.119393 0.355451
C 1.137588 -1.327460 -0.122357
C -2.610687 -0.951314 -0.462021
C -1.085780 0.801810 0.330905
C 3.569833 1.335696 0.637974
C -3.706874 -0.083702 -0.287749
C -2.196440 1.655303 0.507558
C -3.509250 1.228803 0.202496
H -0.530801 -2.343460 -0.766262
H 3.403640 -0.737739 1.253321
H 3.787773 -0.494597 -0.487726
H -2.777450 -1.970401 -0.837124
H -0.067513 1.134206 0.538230
H 2.991340 1.737943 1.485664
H 4.647733 1.413642 0.856016
H -4.715536 -0.434425 -0.533960
H -2.026815 2.671952 0.880830
H -4.360451 1.904265 0.338124
H 1.299613 -3.434561 0.119098
H 2.805647 -2.600931 -0.149883
H 2.008337 1.897675 -1.088196


