%chk=000070565.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070565

0 1
 I   -3.563400      -2.465000      -1.734300    
 I   -3.048400       2.555900       1.696900    
 O    4.287100      4.3000001E-03  0.7137000    
 O    3.751700      -2.176800      0.4551000    
 O   -4.316700      0.3159000     -0.2621000    
 O    1.496600       1.096200      -2.307500    
 N    1.949600      0.9002000     -3.2000002E-02
 C   0.9958000      -1.106300       1.020800    
 C    2.023300     -0.5380000      3.3399999E-02
 C  -0.4242000     -0.7258000      0.6774000    
 C  -0.9611000      0.4389000       1.202100    
 C   -1.165300      -1.548800     -0.1557000    
 C    3.422500     -0.9957000      0.4186000    
 C   -2.477900      -1.197900     -0.4722000    
 C   -2.273400      0.7900000      0.8856000    
 C    1.691300       1.596300      -1.202800    
 C   -3.031900     -2.8400000E-02  4.8500001E-02
 C    1.644300       3.085000     -0.9855000    
 H    1.078500      -2.200700       1.064800    
 H    1.224400     -0.7648000       2.040200    
 H    1.836100     -0.9390000     -0.9703000    
 H    2.129300       1.422400      0.8210000    
 H  -0.3612000       1.067100       1.856100    
 H  -0.7193000      -2.455800     -0.5562000    
 H    1.617200       3.598000      -1.950700    
 H   0.7469000       3.342000     -0.4160000    
 H    2.531300       3.415300     -0.4375000    
 H    5.175200     -0.3371000      0.9527000    
 H   -4.684900     -0.3655000     -0.8507000    


%chk=000070565-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070565

0 1
I -3.497224 -2.252170 -2.010549
I -3.136961 2.500990 1.889523
O 4.308973 -0.054860 0.985199
O 3.875947 -2.246288 0.338846
O -4.288076 0.470298 -0.283129
O 0.867462 0.867280 -2.049611
N 2.065847 0.912578 -0.056928
C 1.081640 -1.133096 1.084157
C 2.116688 -0.543873 0.048963
C -0.346343 -0.752439 0.742001
C -0.953395 0.380741 1.336292
C -1.082991 -1.495545 -0.212391
C 3.499942 -1.060337 0.429930
C -2.387884 -1.104385 -0.555409
C -2.258118 0.771563 0.981267
C 1.435239 1.533494 -1.132228
C -3.007141 0.038195 0.024686
C 1.461145 3.056293 -1.116968
H 1.210938 -2.230917 1.085937
H 1.347111 -0.763114 2.092160
H 1.861458 -0.944379 -0.950238
H 2.601328 1.462829 0.616140
H -0.400815 0.964014 2.078958
H -0.632002 -2.369892 -0.691182
H 1.759819 3.420857 -2.113602
H 0.440147 3.430782 -0.922468
H 2.141344 3.477545 -0.356612
H 5.186223 -0.442089 1.251377
H -4.696900 -0.112173 -0.980720


