%chk=000050312.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050312

0 1
 I   -2.825300      -3.019600      0.4164000    
 F    1.071500      0.2589000       1.837500    
 O    1.523500     -0.2555000      -1.088000    
 O    3.735200       1.670600     -2.1199999E-02
 O    2.484300      -2.857800     -0.8031000    
 O   -1.149400       2.750500     -0.5360000    
 N  -0.5222000      0.5464000     -0.2782000    
 N   -2.823000       1.260800     -0.1885000    
 N   -4.559700     -0.2181000      0.1624000    
 C    2.996400      0.6075000      0.5723000    
 C    1.593200       1.069700      0.8781000    
 C   0.8704000      0.8420000     -0.4359000    
 C    2.782500     -0.5158000     -0.4370000    
 C    2.693000      -1.891000      0.2113000    
 C  -0.9441000     -0.7585000     -5.9099998E-02
 C   -1.487900       1.581300     -0.3436000    
 C   -2.226200      -1.098700      9.5100001E-02
 C   -3.212100      2.7200000E-02  1.7500000E-02
 H    3.537400      0.2798000       1.465300    
 H    1.514700       2.103500       1.226100    
 H    1.001400       1.713500      -1.088400    
 H    3.548800     -0.5226000      -1.220300    
 H    1.863600      -1.959100      0.9205000    
 H    3.624600      -2.131500      0.7333000    
 H    4.614100       1.322100     -0.2484000    
 H  -0.1717000      -1.515000     -8.3999997E-03
 H    2.437800      -3.725600     -0.3670000    
 H   -4.918500      -1.153400      0.3231000    
 H   -5.235800      0.5363000      0.1109000    


%chk=000050312-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050312

0 1
I -2.718211 -3.258872 -0.503774
F 1.077713 0.675359 1.859229
O 1.683159 -0.121462 -1.268383
O 3.870882 1.675729 -0.211822
O 1.919032 -2.834299 -0.463382
O -0.959072 2.705628 0.178908
N -0.463390 0.488046 -0.354715
N -2.706012 1.122856 0.276390
N -4.407062 -0.451364 0.396309
C 3.094812 0.656923 0.497840
C 1.706991 1.301413 0.699594
C 0.931521 0.940353 -0.606776
C 2.779232 -0.581530 -0.375600
C 2.375010 -1.798702 0.473044
C -0.840380 -0.825304 -0.503182
C -1.402018 1.526643 0.057336
C -2.149431 -1.197706 -0.254136
C -3.090498 -0.167037 0.144083
H 3.563162 0.392016 1.466216
H 1.746092 2.382638 0.886516
H 0.883575 1.820845 -1.267763
H 3.603386 -0.864949 -1.054412
H 1.578899 -1.525010 1.193130
H 3.267824 -2.138182 1.041944
H 4.662553 1.264839 -0.641049
H -0.064126 -1.521126 -0.841464
H 1.661746 -3.645705 0.042205
H -4.776587 -1.396272 0.313680
H -5.012302 0.322132 0.666735


