%chk=000080525.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080525

0 1
 S   0.9439000      -2.026300     -0.1500000    
 S   -1.975200      -1.208700     -7.7200003E-02
 O   -4.791600       1.444200     -0.4768000    
 O   -4.811900     -0.6146000      0.4855000    
 N   0.1458000      0.4191000      3.8899999E-02
 C    2.153600     -0.8008000     -6.1299998E-02
 C    1.532800      0.4482000      3.5999998E-02
 C  -0.2680000     -0.8231000     -5.4099999E-02
 C    3.551200     -0.9350000     -7.6800004E-02
 C    2.341700       1.602200      0.1208000    
 C    4.328600      0.2228000      8.2999999E-03
 C    3.733800       1.475900      0.1059000    
 C   -2.693300      0.4497000      5.1500000E-02
 C   -4.191400      0.3465000      4.9100000E-02
 H    4.022600      -1.910100     -0.1527000    
 H    1.887500       2.586000      0.1973000    
 H    5.412300      0.1411000     -2.0000001E-03
 H    4.354600       2.365300      0.1713000    
 H   -2.375700       1.041700     -0.8126000    
 H   -2.381400      0.9428000      0.9767000    
 H   -5.769400       1.367000     -0.4661000    


%chk=000080525-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080525

0 1
S 0.987532 -2.167760 -0.041117
S -2.025867 -1.321172 -0.059087
O -4.813847 1.609729 -0.037793
O -4.958307 -0.712791 -0.078595
N 0.158136 0.406478 -0.003880
C 2.218962 -0.831136 -0.003401
C 1.569540 0.447509 0.012598
C -0.295882 -0.826939 -0.031100
C 3.621241 -0.947154 0.010068
C 2.349587 1.626822 0.042639
C 4.385137 0.242559 0.040214
C 3.754440 1.515278 0.056299
C -2.753192 0.420489 -0.034966
C -4.264027 0.323467 -0.053564
H 4.114329 -1.923793 -0.002231
H 1.849236 2.599615 0.054780
H 5.478263 0.177089 0.051176
H 4.368803 2.421536 0.079593
H -2.382972 0.980606 -0.908067
H -2.402976 0.946615 0.867137
H -5.807635 1.546853 -0.049002


