%chk=000001565.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001565

0 1
 S   0.9513000     -0.8877000      -1.410500    
 O   -6.014800      0.4263000     -0.6834000    
 O   -4.422500       1.819900      0.1411000    
 N    4.011400     -9.0899996E-02 -0.2458000    
 N    2.467200       1.354100      0.5791000    
 N    4.440600       2.181000     -0.4874000    
 C    1.994500     -4.4900000E-02  0.8712000    
 C    3.026900      -1.018000      0.2470000    
 C   0.6084000     -0.2521000      0.2560000    
 C    2.408400      -1.821900     -0.8874000    
 C  -0.2223000      -1.262100       1.040800    
 C   -1.617600      -1.484500      0.4575000    
 C    3.616100       1.195600     -3.2900002E-02
 C   -2.533900     -0.2577000      0.4382000    
 C   -3.934800     -0.5540000     -9.6000001E-02
 C   -4.778800      0.6969000     -0.1875000    
 H    1.968800     -0.1517000       1.962400    
 H    3.476800      -1.674900      0.9986000    
 H   7.9899997E-02  0.7027000      0.1794000    
 H    3.091200      -1.982100      -1.727000    
 H    2.072100      -2.798700     -0.5258000    
 H   0.2925000      -2.228400       1.115900    
 H  -0.3352000     -0.9027000       2.072200    
 H    4.858300     -0.3753000     -0.7227000    
 H   -1.556100      -1.909600     -0.5505000    
 H   -2.105500      -2.256900       1.067200    
 H   -2.609600      0.1557000       1.451700    
 H   -2.085600      0.5254000     -0.1839000    
 H   -4.441400      -1.264700      0.5658000    
 H   -3.863000     -0.9878000      -1.099500    
 H    4.206200       3.160500     -0.3685000    
 H    5.314100       1.964900     -0.9552000    
 H   -6.569300       1.233300     -0.7429000    


%chk=000001565-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001565

0 1
S 1.040587 -0.938852 -1.514977
O -6.106011 0.389584 -0.701554
O -4.603337 1.857434 0.285987
N 4.151325 -0.119939 -0.248990
N 2.565523 1.315894 0.664170
N 4.405882 2.255775 -0.548693
C 2.058500 -0.066649 0.902090
C 3.137395 -1.068019 0.281905
C 0.665888 -0.287544 0.243459
C 2.479159 -1.945304 -0.806634
C -0.247347 -1.246207 1.038593
C -1.651749 -1.467375 0.432730
C 3.677589 1.195409 -0.035371
C -2.534969 -0.199477 0.418780
C -3.944750 -0.501445 -0.123573
C -4.857385 0.708470 -0.135546
H 1.961876 -0.224887 1.993642
H 3.589612 -1.712714 1.058702
H 0.193281 0.699040 0.106734
H 3.162943 -2.191901 -1.636510
H 2.094394 -2.885468 -0.375534
H 0.259768 -2.226318 1.148774
H -0.354944 -0.830746 2.064044
H 4.636252 -0.348468 -1.120197
H -1.534658 -1.855233 -0.599422
H -2.166024 -2.259106 1.015931
H -2.614439 0.219632 1.440326
H -2.072511 0.589614 -0.202525
H -4.440800 -1.289478 0.478017
H -3.897829 -0.903090 -1.154689
H 4.022985 3.187191 -0.408283
H 5.400741 2.158363 -0.732482
H -6.682650 1.201513 -0.691703


