%chk=000164039.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164039

0 1
 I   -6.552400      7.0100002E-02 -2.7999999E-03
 O   0.3200000      -1.414200      1.1000000E-03
 O   0.2710000      0.6294000      -1.188700    
 O   0.2728000      0.6276000       1.192400    
 C    2.301600      9.9999997E-05 -9.9999997E-05
 C    3.823000      3.6800001E-02 -1.2000001E-03
 C    1.753800      -1.436900     -5.0000002E-04
 C    1.702600      0.6983000      -1.232700    
 C    1.704400      0.6970000       1.234100    
 C  -0.1625000     -5.8300000E-02  1.6000000E-03
 C    4.366600     -0.6749000       1.251500    
 C    4.313300       1.496600     -7.9999998E-04
 C    4.364600     -0.6735000      -1.255600    
 C   -1.681500     -2.8100001E-02  1.1000000E-03
 C   -2.407600      -1.221600      3.0000001E-04
 C   -2.358900       1.193900      1.0000000E-03
 C   -3.802300      -1.193300     -5.0000002E-04
 C   -3.753400       1.222200      3.0000001E-04
 C   -4.475100      2.8600000E-02 -5.0000002E-04
 H    2.046400      -2.008300     -0.8852000    
 H    2.048300      -2.009500      0.8828000    
 H    1.953000       1.761000      -1.287900    
 H    1.998400      0.2335000      -2.176700    
 H    2.001900      0.2314000       2.177200    
 H    1.954700       1.759700       1.289800    
 H    4.062500     -0.1937000       2.185100    
 H    5.464100     -0.6478000       1.246000    
 H    4.095800      -1.733300       1.295800    
 H    4.005300       2.052700      0.8888000    
 H    4.003900       2.053700     -0.8894000    
 H    5.411000       1.518900     -1.6000000E-03
 H    4.093700      -1.731800      -1.300700    
 H    5.462200     -0.6464000      -1.251800    
 H    4.059100     -0.1912000      -2.188100    
 H   -1.920000      -2.191900      9.9999997E-05
 H   -1.809900       2.132100      1.6000000E-03
 H   -4.345600      -2.134900     -1.3000000E-03
 H   -4.257900       2.185100      1.9999999E-04


%chk=000164039-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164039

0 1
I -6.732894 0.078901 0.001564
O 0.249753 -1.413365 -0.000702
O 0.209275 0.660192 -1.195652
O 0.209748 0.659497 1.195481
C 2.308118 0.007784 -0.000679
C 3.898076 0.036009 -0.000992
C 1.742077 -1.440358 -0.000930
C 1.702409 0.718558 -1.243833
C 1.702898 0.717944 1.243057
C -0.255255 -0.050573 -0.000206
C 4.472019 -0.681313 1.256935
C 4.431100 1.499602 0.000212
C 4.471460 -0.679009 -1.260476
C -1.764994 -0.053020 0.000121
C -2.501801 -1.256076 0.000130
C -2.441203 1.188245 0.000475
C -3.914999 -1.226805 0.000516
C -3.851949 1.233049 0.000861
C -4.575333 0.020200 0.000889
H 2.048803 -1.998461 -0.902827
H 2.049044 -1.998887 0.900616
H 1.979552 1.787155 -1.275885
H 2.009668 0.229935 -2.185168
H 2.010606 0.228915 2.184037
H 1.979961 1.786546 1.275470
H 4.149442 -0.201080 2.197723
H 5.576192 -0.638348 1.228207
H 4.186680 -1.747528 1.298775
H 4.111341 2.061864 0.895546
H 4.110376 2.063719 -0.893613
H 5.536191 1.483292 -0.000394
H 4.185240 -1.744890 -1.304694
H 5.575665 -0.636987 -1.231645
H 4.149280 -0.196403 -2.200181
H -1.969135 -2.210491 -0.000160
H -1.864425 2.117457 0.000450
H -4.483844 -2.160702 0.000529
H -4.372239 2.194535 0.001142


