%chk=000012901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012901

0 1
 S   -1.812600      3.6899999E-02 -0.9057000    
 S   -5.219100     -0.1712000      -1.758800    
 P   -3.865100     -1.1300000E-02 -0.3478000    
 O   0.9753000      -2.337800      0.2195000    
 O   0.9373000       2.290200      0.4370000    
 O   -4.124600       1.284100      0.6159000    
 O   -4.023300      -1.174700      0.7905000    
 N   0.5323000     -3.1399999E-02  0.3965000    
 C    2.660700     -0.6873000     -1.4400000E-02
 C    2.648200      0.6981000      5.0900001E-02
 C    1.297000      -1.164100      0.2119000    
 C    1.276000       1.127100      0.3198000    
 C  -0.8957000     -5.6000002E-02  0.6438000    
 C    3.819400      -1.396500     -0.2559000    
 C    3.793800       1.447600     -0.1218000    
 C    4.992500     -0.6580000     -0.4347000    
 C    4.979900      0.7504000     -0.3681000    
 C   -4.091900       2.595900      7.8299999E-02
 C   -3.880100      -2.542000      0.4431000    
 H   -1.155800     -0.9842000       1.160300    
 H   -1.168300      0.7987000       1.269800    
 H    3.829500      -2.478900     -0.3066000    
 H    3.784500       2.529900     -7.0299998E-02
 H    5.929300      -1.174500     -0.6275000    
 H    5.907100       1.299400     -0.5106000    
 H   -3.943400       3.303300      0.8980000    
 H   -5.043700       2.817700     -0.4104000    
 H   -3.272700       2.707000     -0.6361000    
 H   -3.072100      -2.682200     -0.2787000    
 H   -4.818800      -2.915500      2.6600000E-02
 H   -3.646300      -3.107700       1.348500    


%chk=000012901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012901

0 1
S -1.786514 -1.090430 -0.987725
S -4.955649 0.453271 -1.978882
P -3.755078 -0.045084 -0.379866
O 1.508654 -2.663566 0.572815
O 0.229938 1.853683 0.149481
O -3.294489 1.169271 0.762057
O -4.382545 -1.093088 0.854108
N 0.534804 -0.491826 0.438260
C 2.831896 -0.617041 0.048957
C 2.443996 0.739843 -0.078315
C 1.621642 -1.432025 0.374750
C 0.971358 0.842745 0.163392
C -0.835516 -0.875220 0.682752
C 4.165633 -1.016618 -0.122908
C 3.377354 1.741987 -0.382687
C 5.117146 -0.010262 -0.432674
C 4.729097 1.347825 -0.560635
C -3.009871 2.541880 0.265069
C -4.966064 -2.376876 0.407221
H -0.852560 -1.845213 1.197381
H -1.370890 -0.092628 1.242742
H 4.453509 -2.067565 -0.021877
H 3.066695 2.786938 -0.478727
H 6.167653 -0.284169 -0.576257
H 5.485867 2.101906 -0.801222
H -3.082534 3.170592 1.164897
H -3.764230 2.849491 -0.481446
H -1.989876 2.580467 -0.148971
H -4.202520 -3.003308 -0.090798
H -5.819692 -2.203761 -0.272851
H -5.307913 -2.858218 1.334956


