%chk=000051798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051798

0 1
 I   -3.640800      -1.458600       3.050300    
 I   -3.643100      -1.441900      -3.052500    
 O    2.393700       1.537500      2.7999999E-03
 O    1.351000      -2.922700     -5.4000001E-03
 O   -4.713400      -1.377600     -3.9999999E-04
 C   4.4900000E-02   1.338200      1.9000000E-03
 C    1.329300      0.6934000      1.7000000E-03
 C    1.746700     -0.6174000     -6.0000003E-04
 C    3.166200     -0.5854000     -7.9999998E-04
 C  -0.5889000       1.653400       1.210000    
 C  -0.5874000       1.656800      -1.205900    
 C    3.514000      0.7615000      1.4000000E-03
 C   -2.459200       2.591800      2.3000001E-03
 C   -1.836300       2.277900       1.210100    
 C   -1.834800       2.281200      -1.205800    
 C   0.8833000      -1.763700     -3.0000000E-03
 C    4.194100      -1.544500     -2.7000001E-03
 C   4.5000002E-02   1.333300       2.526500    
 C   4.8700001E-02   1.341400      -2.522000    
 C    4.826700       1.229700      2.6000000E-03
 C  -0.6176000      -1.659800     -2.4999999E-03
 C    5.524700      -1.103900     -1.9000000E-03
 C   -3.791600       3.261700      1.2000001E-03
 C    5.832700      0.2588000      8.9999998E-04
 C   -1.263800      -1.612300      -1.210100    
 C   -1.263200      -1.618300       1.205900    
 C   -2.654800      -1.522400       1.206500    
 C   -2.655400      -1.516500      -1.209400    
 C   -3.350900      -1.471400     -1.2000001E-03
 H   -2.325400       2.524800       2.149500    
 H   -2.322900       2.530900      -2.145000    
 H    3.980000      -2.608700     -4.6999999E-03
 H   0.8249000       2.068700       2.751200    
 H  -0.6875000       1.363600       3.341000    
 H   0.4883000      0.3348000       2.548400    
 H   0.4915000      0.3427000      -2.547100    
 H  -0.6821000       1.375300      -3.337900    
 H   0.8294000       2.077200      -2.742600    
 H    5.057600       2.288300      4.6000001E-03
 H    6.329000      -1.835200     -3.3000000E-03
 H   -3.665900       4.348800     -1.3400000E-02
 H   -4.382000       2.963800     -0.8721000    
 H   -4.372800       2.987200      0.8881000    
 H    6.874200      0.5710000      1.6000000E-03
 H  -0.7056000      -1.665900      -2.139900    
 H  -0.7043000      -1.676500       2.135100    
 H   -5.020500      -1.355100      0.9223000    


%chk=000051798-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051798

0 1
I -3.225920 -1.177929 2.909225
I -3.991796 -3.644508 -2.682412
O 2.399683 1.537944 0.617609
O 1.421242 -2.281437 -1.832197
O -4.614819 -2.622767 0.268469
C 0.007508 1.586971 0.096708
C 1.273970 0.828974 0.107837
C 1.671695 -0.438913 -0.339526
C 3.119744 -0.531313 -0.138666
C -0.514311 2.100851 1.329529
C -0.684578 1.826162 -1.131150
C 3.519684 0.685788 0.472971
C -2.450713 3.039839 0.111774
C -1.735690 2.806149 1.313360
C -1.903491 2.546992 -1.093988
C 0.871643 -1.511759 -0.976432
C 4.098555 -1.522476 -0.395429
C 0.205573 1.885489 2.650651
C -0.156997 1.353909 -2.475787
C 4.833164 0.982452 0.859562
C -0.567898 -1.732633 -0.608424
C 5.430913 -1.251381 -0.016741
C -3.756286 3.813631 0.124864
C 5.795316 -0.020900 0.601431
C -1.401027 -2.398512 -1.547012
C -1.094081 -1.381896 0.659556
C -2.431215 -1.680879 0.962823
C -2.740831 -2.674876 -1.243127
C -3.288647 -2.320422 0.023026
H -2.142632 3.180444 2.261288
H -2.432894 2.731550 -2.036957
H 3.821785 -2.456834 -0.889923
H 1.109523 2.516755 2.718632
H -0.453213 2.131642 3.500456
H 0.546832 0.840024 2.774631
H -0.490893 0.323514 -2.702450
H -0.532769 2.001664 -3.286302
H 0.945180 1.354017 -2.517389
H 5.095358 1.934654 1.328495
H 6.206782 -2.000403 -0.208366
H -3.584858 4.881844 0.359140
H -4.267881 3.763088 -0.851239
H -4.447625 3.420709 0.893010
H 6.840314 0.154675 0.878339
H -0.965951 -2.697938 -2.505004
H -0.451592 -0.908954 1.404487
H -4.880153 -2.337104 1.186349


