%chk=000040605.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040605

0 1
 S   0.8110000       1.979200      0.6205000    
 S   -2.222800       1.813600      0.8117000    
 O   -4.739700      -1.660000      -1.032000    
 N    3.449900       1.108300      -1.193000    
 N    4.704300     -0.7276000      -1.036200    
 N    1.604900     -0.4127000       1.601200    
 N    3.491700      -1.742000      0.8107000    
 N   -4.301000      0.3498000      0.1327000    
 N  -0.7806000      5.9599999E-02 -0.3757000    
 N   -2.087100     -0.3763000     -0.5115000    
 C    2.911700      0.3777000     -0.1722000    
 C    3.707700     -0.7571000     -9.4200000E-02
 C    1.845000      0.5539000      0.6869000    
 C    4.520900      0.4058000      -1.679000    
 C  -0.7358000       1.177200      0.2887000    
 C   -2.938500      0.4466000      6.2500000E-02
 C    2.431200      -1.485800       1.606600    
 C   -5.104400     -0.6715000     -0.4044000    
 C   -6.568300     -0.4388000     -0.1233000    
 H    3.120600       2.003100      -1.530400    
 H    5.121000      0.7753000      -2.498400    
 H    2.209900      -2.242000       2.352200    
 H   -4.761300       1.107600      0.6308000    
 H   -6.740000     -0.4324000      0.9567000    
 H   -7.164600      -1.237100     -0.5738000    
 H   -6.879500      0.5195000     -0.5486000    


%chk=000040605-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040605

0 1
S 0.674940 1.046165 2.275892
S -2.381829 0.915041 1.890492
O -4.253010 0.883208 -2.159593
N 1.750464 -0.553733 -0.852147
N 3.935786 -1.016940 -1.391283
N 3.313575 0.750223 2.293005
N 4.940717 -0.147388 0.704729
N -4.334846 0.028178 0.030519
N -0.722688 -0.009143 0.030354
N -1.995721 -0.290765 -0.481298
C 2.508030 -0.131268 0.229723
C 3.890360 -0.428544 -0.120565
C 2.281360 0.472586 1.476878
C 2.643671 -1.069753 -1.782050
C -0.713634 0.570781 1.234123
C -2.975831 0.112583 0.318392
C 4.589676 0.432672 1.879932
C -4.919532 0.387716 -1.225829
C -6.410157 0.083427 -1.303858
H 0.699806 -0.461893 -0.832583
H 2.313730 -1.476094 -2.735629
H 5.392641 0.678691 2.578628
H -4.965357 -0.281371 0.773160
H -6.553271 -0.909259 -1.769171
H -6.891987 0.829615 -1.953577
H -6.910692 0.079165 -0.319747


