%mem=115GB
%nprocshared=28
%chk=P1_b1.chk
#p opt freq b3lyp/genecp scrf=(solvent=thf,pcm) empiricaldispersion=gd3bj
scf=xqc

P1_b1

0 1
 C                 -2.18796100   -0.37790800    0.82705600
 I                 -3.37511800   -2.19190000    0.45594200
 C                 -0.47022300    0.89268700    2.09605400
 C                 -0.63673600    1.28999700    3.57616900
 C                 -0.23578600    0.14739000    4.51359800
 C                 -1.01720400   -1.12835500    4.17944300
 C                 -0.85785600   -1.51175600    2.69409200
 C                 -1.25227000   -0.37264400    1.79205600
 H                 -0.76763600    1.71239300    1.44511900
 H                 -0.03515400    2.18516500    3.77804700
 H                  0.83984100   -0.04816800    4.40324500
 H                 -0.67709800   -1.96280300    4.80373100
 H                  0.20266700   -1.71629100    2.49199000
 H                 -1.42519800   -2.41572600    2.46810100
 H                 -2.08259000   -0.97536300    4.40100600
 H                 -0.40412800    0.43490600    5.55882700
 H                 -1.68520200    1.56515400    3.75663800
 H                  0.58655600    0.67405200    1.90096300
 C                 -3.64369100    1.80825600   -1.87885400
 C                 -2.41073700    2.66278700   -1.41610700
 B                 -2.55551100    0.74095700   -0.18399200
 O                 -3.77760400    0.84569500   -0.79293800
 O                 -1.66727100    1.70662900   -0.60326600
 C                 -4.94934100    2.58169600   -2.00985600
 H                 -4.85740400    3.36349400   -2.77144400
 H                 -5.75006600    1.90157500   -2.31593700
 H                 -5.23834600    3.04598800   -1.06467900
 C                 -3.37257800    0.99377100   -3.14716700
 H                 -4.18815000    0.27872700   -3.28878900
 H                 -3.31721200    1.63597500   -4.03132200
 H                 -2.43783300    0.43087100   -3.06395400
 C                 -2.78636400    3.82340300   -0.49172100
 H                 -1.87382000    4.23859000   -0.05265900
 H                 -3.29937500    4.62045700   -1.03815700
 H                 -3.43356900    3.48642500    0.32373100
 C                 -1.50833700    3.14602000   -2.54469800
 H                 -0.67961900    3.73055500   -2.13466000
 H                 -1.08952300    2.30999100   -3.10824000
 H                 -2.06637600    3.78969500   -3.23274500

C H O B 
6-31G(d)
****
I
Lanl2dz
****

I
Lanl2dz








































