%chk=000069012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069012

0 1
 S    4.388300      0.9817000     -0.1944000    
 P    2.566100     -5.9900001E-02 -0.3404000    
 O    1.349900      0.9821000     -9.0099998E-02
 O    2.436400      -1.107100      0.8968000    
 O    2.479100     -0.7408000      -1.682300    
 O   -4.908900      0.6014000      0.1775000    
 O   -4.412400      -1.498800     -0.2242000    
 N   -4.069200     -0.3076000     -2.9999999E-02
 C   1.8200001E-02  0.6650000     -7.5400002E-02
 C  -0.9250000       1.661700      0.1521000    
 C  -0.3803000     -0.6506000     -0.2885000    
 C   -2.688200      2.2000000E-02 -4.5899998E-02
 C   -2.282000       1.339200      0.1671000    
 C   -1.737300     -0.9729000     -0.2737000    
 C    5.668800     -0.2748000     -0.3823000    
 C    2.496400     -0.6406000       2.233700    
 H  -0.6124000       2.688700      0.3185000    
 H   0.3192000      -1.457100     -0.4726000    
 H   -2.994400       2.140000      0.3479000    
 H   -2.017500      -2.009400     -0.4439000    
 H    5.574300     -0.7612000      -1.356300    
 H    5.570600      -1.027100      0.4042000    
 H    6.655500      0.1891000     -0.3102000    
 H    1.901800      0.2671000       2.361100    
 H    3.535500     -0.4445000       2.508500    
 H    2.098700      -1.417700       2.891100    


%chk=000069012-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000069012

0 1
S 3.465392 0.924969 -0.120679
P 2.576526 -0.970010 0.826012
O 1.045318 -0.344299 1.443036
O 3.313684 -1.274488 2.339720
O 2.542166 -2.245858 -0.115761
O -4.496597 1.492263 -1.089143
O -4.032606 -0.282896 -2.446283
N -3.747106 0.508464 -1.465376
C -0.109513 -0.160318 0.655970
C -0.947391 0.915383 1.036274
C -0.453799 -1.025641 -0.413510
C -2.485596 0.275790 -0.728314
C -2.149719 1.134547 0.343495
C -1.652796 -0.798306 -1.113316
C 4.445645 0.059521 -1.498414
C 3.484286 -0.176235 3.322894
H -0.643824 1.558931 1.866312
H 0.200752 -1.860212 -0.683107
H -2.823186 1.953618 0.607729
H -1.955623 -1.441069 -1.943887
H 3.998570 -0.929065 -1.692064
H 5.496247 -0.039789 -1.194491
H 4.346716 0.697747 -2.388606
H 2.501375 0.165252 3.687174
H 4.048654 0.662107 2.874388
H 4.063626 -0.632505 4.138250


