%chk=000039400.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039400

0 1
 S   0.7961000     -0.4030000      -1.797900    
 O    1.959000       4.709800      0.9918000    
 N   -1.522500     -6.0000001E-03  0.3069000    
 N   -4.380800     -0.1831000     -9.0300001E-02
 C  -0.3357000      0.3796000       1.067600    
 C   -2.339600     -0.9620000       1.064100    
 C   -2.317000       1.174700     -5.3900000E-02
 C   -3.586800      -1.364300      0.2697000    
 C   -3.563500      0.7714000     -0.8491000    
 C   0.4536000     -0.8351000       1.582800    
 C   0.5606000       1.367600      0.3498000    
 C    1.218600      -1.779500      0.6740000    
 C    1.141200       1.093600     -0.8997000    
 C   -5.568800     -0.5680000     -0.8496000    
 C   0.8529000       2.593600      0.9752000    
 C    1.430600      -1.671700     -0.7126000    
 C    1.797600      -2.883100       1.347600    
 C    1.980200       2.042700      -1.503600    
 C    1.693200       3.528300      0.3709000    
 C    2.186300      -2.665100      -1.372900    
 C    2.257000       3.252500     -0.8689000    
 C    2.547000      -3.851200      0.6821000    
 C    2.740800      -3.741900     -0.6840000    
 H  -0.6955000      0.8827000       1.979300    
 H   -2.635600     -0.5527000       2.039300    
 H   -1.807300      -1.902200       1.235700    
 H   -1.749100       1.863100     -0.6893000    
 H   -2.621100       1.733000      0.8423000    
 H   -3.288800      -1.923300     -0.6281000    
 H   -4.188800      -2.039800      0.8897000    
 H   -4.148200       1.676000      -1.056300    
 H   -3.262800      0.3475000      -1.817100    
 H  -0.1586000      -1.428300       2.273400    
 H    1.232500     -0.4133000       2.240700    
 H   -6.181100      0.3117000      -1.076900    
 H   -6.198000      -1.245200     -0.2614000    
 H   -5.315500      -1.064800      -1.793000    
 H   0.4232000       2.825800       1.947600    
 H    1.662100      -2.991700       2.423000    
 H    2.427400       1.852100      -2.477000    
 H    2.356800      -2.611200      -2.447600    
 H    2.911300       3.970700      -1.355400    
 H    2.974400      -4.683800       1.232100    
 H    3.320300      -4.489700      -1.216700    
 H    2.556700       5.233500      0.4310000    


%chk=000039400-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039400

0 1
S 1.188991 -0.155454 -1.792652
O 1.637208 5.163581 1.067174
N -1.268335 0.035504 0.433937
N -4.065744 -0.487595 -0.167951
C -0.105252 0.565143 1.192247
C -2.053711 -0.956713 1.209529
C -2.163410 1.104877 -0.078178
C -3.172374 -1.553782 0.340799
C -3.283061 0.503897 -0.942278
C 0.868939 -0.570699 1.648296
C 0.671938 1.635854 0.427707
C 1.119344 -1.733964 0.692482
C 1.345767 1.377943 -0.797522
C -5.204777 -1.026115 -0.934251
C 0.809757 2.911993 1.017568
C 1.314007 -1.642279 -0.713121
C 1.209792 -3.029275 1.276801
C 2.115823 2.396054 -1.408765
C 1.572319 3.927395 0.400220
C 1.580944 -2.809608 -1.478894
C 2.229048 3.675156 -0.825651
C 1.473996 -4.190778 0.524360
C 1.658767 -4.077593 -0.872106
H -0.457743 1.058275 2.138401
H -2.509966 -0.489514 2.120580
H -1.391093 -1.777364 1.532072
H -1.570351 1.804844 -0.691681
H -2.626075 1.683447 0.761952
H -2.699533 -2.129580 -0.495954
H -3.770362 -2.259185 0.948575
H -3.962236 1.312928 -1.271960
H -2.822835 0.043676 -1.853919
H 0.491025 -0.996992 2.595831
H 1.829780 -0.082302 1.904205
H -5.870893 -0.199385 -1.241361
H -5.788151 -1.717209 -0.299113
H -4.895755 -1.581418 -1.856872
H 0.313361 3.134920 1.967750
H 1.065717 -3.115418 2.361662
H 2.641163 2.180882 -2.345117
H 1.735651 -2.716042 -2.560240
H 2.833245 4.450292 -1.313727
H 1.534039 -5.166512 1.018082
H 1.866774 -4.961980 -1.484081
H 2.188559 5.809996 0.560462


