! 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  -4.4570470927   2.0875856630  -0.4350637336
F   -2.2270733638  -1.9700853983   1.8114365505
F   -1.0613466867  -2.7767289157   0.2007987180
F   -0.1123317800  -1.6213819137   1.7455615809
O    1.4594583511   1.9427823061   0.2961298660
N    2.9236254468  -1.1622108051  -0.9917697764
N    0.7256184066  -0.6888935315  -0.7860857927
N    4.9237844804  -1.9851597123  -1.4410415106
C    1.9026665770  -0.2427583444  -0.7053779239
C    2.3912425048   1.1504612605  -0.3614650633
C    1.3803382904   1.7150044113   1.6947934839
C   -0.4499843906   0.0285816074  -0.6641665903
C    0.6243363854   2.8509833170   2.3478203275
C   -1.4544676997  -0.4572392672   0.1824411103
C   -0.7356005111   1.1274238106  -1.4739403732
C   -2.6855401898   0.1812036449   0.2570061752
C    2.7449665340  -2.5032735578  -1.2669194157
C   -0.8238799092   2.9754178722   1.9020191969
C    4.2631354488  -0.9161323780  -1.1182535136
C   -1.2116825729  -1.7002157002   0.9835536795
C   -1.9642784181   1.7538352397  -1.4173676254
C   -2.9279941808   1.2846344576  -0.5387099541
C    3.9821372571  -2.9837554244  -1.5343666485
H    2.6643169837   1.6458950310  -1.2985203972
H    3.3086797115   1.0631023373   0.2308764140
H    2.3913978122   1.6528518392   2.1166673746
H    0.8849908369   0.7598188823   1.9061683462
H    0.6629274724   2.6790829976   3.4261849648
H    1.1583663675   3.7879366448   2.1692593407
H    0.0093610407   1.4861448606  -2.1711291971
H   -3.4583702556  -0.1762424857   0.9221299484
H    1.7789258240  -2.9738040488  -1.2316474277
H   -1.3272088984   3.7779921487   2.4416947070
H   -0.9070099518   3.1932592347   0.8383003526
H   -1.3765399504   2.0545948461   2.0932269623
H    4.7016694012   0.0571268713  -0.9740139188
H   -2.1622520240   2.6071491415  -2.0511172497
H    4.2534477029  -3.9965946687  -1.7839579557
*