! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -1.7199538250   0.5741980851  -3.0342949267
Cl  -3.3777667030   3.2643757071   1.2762829754
F    3.6558743477  -1.0143929697   1.0001543263
F    4.1184228034  -0.6133948143  -1.0677506206
F    5.1803529630   1.2077526457   0.5995038467
F    3.2224290513   1.6280684329   1.4710821090
O    2.0787058451  -0.1210833922  -0.3092579690
N   -1.5484756065  -2.6345217195  -0.0867054632
N   -0.9820092315  -3.1298970822   1.0169900017
N   -3.1251404244  -2.5928365939   1.4101979914
C    0.0632688260  -1.0612613337  -1.1433678020
C   -0.7890719727  -2.3352092183  -1.2758190502
C    1.3528657569  -1.3560941239  -0.3960348554
C   -0.7558869338   0.0555775142  -0.5453832127
C   -1.6143093031   0.8312223572  -1.3218892898
C   -0.7545383912   0.3071217937   0.8250544127
C    3.3817531142  -0.1648022502  -0.0184290629
C   -2.4229313701   1.8192721005  -0.7810702624
C   -1.5523501988   1.2810528600   1.3986541085
C   -2.8135128217  -2.3038801786   0.1702225699
C   -2.3796219304   2.0348727426   0.5843331990
C    3.8540011927   1.2425091893   0.3399074420
C   -1.9662608351  -3.0891206090   1.8783448837
H    0.3478676304  -0.7933507531  -2.1632226897
H   -1.5019050149  -2.2185625519  -2.0900303018
H   -0.1634766404  -3.1923397502  -1.5222450869
H    1.1754677824  -1.7526663740   0.6042915299
H    1.9140611005  -2.1038890315  -0.9603944485
H   -0.1210467154  -0.2715555609   1.4829592680
H   -3.0729210411   2.4047265173  -1.4158627549
H   -1.5223814644   1.4456523689   2.4662963535
H   -3.4708766898  -1.8801461318  -0.5725648399
H    3.6541874278   1.9605737435  -0.4551194520
H   -1.8423634360  -3.4400977298   2.8906896915
*
