%chk=000069785.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069785

0 1
 S    4.177200      0.7215000      0.1770000    
 F   0.7277000       1.629300     -0.7584000    
 F  -0.8154000       1.628200      0.7581000    
 F    1.495600      0.9248000       1.748300    
 F   7.2800003E-02 -0.7049000       1.791100    
 F  -0.1724000     -0.6868000      -1.810300    
 F   -1.590800      0.9451000      -1.737400    
 F    2.514100      -1.558100       1.415900    
 F    1.247000      -1.921800     -0.3003000    
 F   -1.356200      -1.922300      0.2849000    
 F   -2.627400      -1.512200      -1.425100    
 F    2.419900      0.1725000      -1.656200    
 F    3.670300      -1.480500      -1.025100    
 F   -3.852300      -1.402900      0.9401000    
 F   -2.492200      0.1127000       1.693100    
 F   -4.636400      0.2277000      -1.086500    
 F   -3.258000       1.782200     -0.4243000    
 F   -4.883400       1.128100      0.8771000    
 O    4.956300     -5.0900001E-02   1.126400    
 O    3.502800       1.934900      0.5929000    
 N    5.168800       1.069300      -1.156900    
 C  -4.2599998E-02  0.7996000     -7.9999998E-04
 C   0.8622000      2.1800000E-02  0.9484000    
 C  -0.9509000      3.1500001E-02 -0.9521000    
 C    1.901500     -0.9298000      0.3695000    
 C   -1.993900     -0.9147000     -0.3726000    
 C    2.982900     -0.3939000     -0.5579000    
 C   -3.062400     -0.3582000      0.5563000    
 C   -3.964700      0.7076000     -1.5100000E-02
 H    4.785600       1.668500      -1.898400    
 H    5.785500      0.3251000      -1.505400    


%chk=000069785-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000069785

0 1
S 4.396201 1.019319 0.034026
F 0.694601 1.649314 -0.833496
F -0.838662 1.624051 0.857190
F 1.663359 0.980571 1.610976
F 0.146425 -0.710687 1.860981
F -0.347718 -0.629130 -1.940366
F -1.791503 1.114906 -1.663395
F 2.633044 -1.578842 1.448528
F 1.257664 -2.085702 -0.302021
F -1.548753 -2.016391 0.153678
F -2.868041 -1.403666 -1.603201
F 2.547128 -0.056640 -1.849256
F 3.945667 -1.588158 -0.908436
F -4.155559 -1.586617 0.752948
F -2.727751 -0.150216 1.805830
F -4.781461 0.583495 -1.120727
F -3.603778 1.964934 0.249102
F -5.346998 0.777706 1.067593
O 4.977903 0.548312 1.461872
O 3.667059 2.424858 -0.273532
N 5.668874 0.846206 -1.145401
C -0.082155 0.800674 -0.011954
C 0.917850 -0.003594 0.912711
C -1.103893 0.079892 -0.979182
C 1.969751 -1.024844 0.329870
C -2.206382 -0.919737 -0.449499
C 3.073984 -0.520196 -0.638919
C -3.326828 -0.455808 0.564936
C -4.273530 0.740352 0.173058
H 5.614518 1.412997 -1.991832
H 6.400182 0.156042 -0.975781


