%chk=000028298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028298

0 1
 S    1.111300      -1.237600      0.8290000    
 N   -2.590500      7.7799998E-02 -0.2087000    
 N    3.433700     -0.9736000     -0.5064000    
 N    2.720200      0.8848000      0.6016000    
 C   -1.559400     -0.7690000      0.3905000    
 C   -2.511900       1.471000      0.3006000    
 C   -3.916400     -0.4984000      1.4100000E-02
 C  -0.1801000     -0.1953000      9.0899996E-02
 C    4.485200     -5.4299999E-02 -0.8229000    
 C    2.510700     -0.3640000      0.2813000    
 C   -3.518400       2.370600     -0.3864000    
 C   -3.998400      -1.919200     -0.5048000    
 C    4.014300       1.207300     -7.9000004E-02
 H   -1.575500      -1.775700     -3.9999999E-02
 H   -1.713300     -0.8609000       1.474000    
 H   -2.650700       1.506200       1.387900    
 H   -1.544000       1.920800      6.8599999E-02
 H   -4.194400     -0.4769000       1.075200    
 H   -4.673100      7.0600003E-02 -0.5359000    
 H  -3.1099999E-02  0.7875000      0.5409000    
 H  -1.1100000E-02 -0.1209000     -0.9890000    
 H    4.555700      0.1189000      -1.900700    
 H    5.450800     -0.4043000     -0.4468000    
 H    4.751000       1.518100      0.6694000    
 H    3.861000       2.038100     -0.7759000    
 H   -3.474200       2.269300      -1.476200    
 H   -4.543400       2.177400     -5.5399999E-02
 H   -3.303700       3.418000     -0.1459000    
 H   -3.587300      -2.010800      -1.516100    
 H   -3.498500      -2.637200      0.1530000    
 H   -5.048600      -2.229200     -0.5547000    
 H    3.400600      -1.931300     -0.8323000    


%chk=000028298-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028298

0 1
S 1.154673 -1.872052 -1.307373
N -2.364657 0.004663 -0.060947
N 3.536791 -0.855038 -0.346373
N 1.794283 0.652762 -0.294142
C -1.219557 -0.935835 -0.006172
C -1.975762 1.396380 0.301725
C -3.589422 -0.479714 0.622387
C -0.487496 -0.915426 -1.360921
C 4.210869 0.345067 0.198177
C 2.196905 -0.563366 -0.594461
C -2.839220 2.462327 -0.399190
C -4.307590 -1.598465 -0.156841
C 3.008078 1.369628 0.240839
H -1.584113 -1.958038 0.201040
H -0.500179 -0.670911 0.800566
H -2.017932 1.545723 1.410402
H -0.917512 1.534516 0.011661
H -3.369587 -0.826816 1.664358
H -4.279562 0.378678 0.718630
H -0.222171 0.113085 -1.649958
H -1.081704 -1.391112 -2.157433
H 5.028432 0.687571 -0.464718
H 4.632723 0.152425 1.202858
H 2.803453 1.714712 1.270311
H 3.207958 2.260573 -0.381193
H -2.750857 2.361951 -1.495161
H -3.908810 2.368890 -0.134890
H -2.509810 3.477852 -0.108501
H -4.589080 -1.238908 -1.161973
H -3.664595 -2.488985 -0.281583
H -5.222130 -1.918340 0.377236
H 3.998082 -1.735998 -0.558460


