! 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  -4.7208836718   1.8476734366  -0.3159465893
F   -1.0583128434  -2.9711982046  -0.1587803306
F   -0.3515502975  -1.8697810591   1.5475619676
F   -2.4199739343  -2.4309819256   1.4094846792
O    2.3776018227   1.6626692612   0.3876222060
N    2.7576619789  -1.0702649569  -0.5951668683
N    0.5450867341  -0.7209844117  -0.9966611231
N    4.1420489549  -2.4932474709  -1.5599094719
C    1.5586393354  -0.4206969880  -0.3018926135
C    1.6033021618   0.5766630575   0.8250223326
C    2.6561442170   2.6045167517   1.4122799985
C   -0.6835501010  -0.1006152998  -0.7856266712
C    1.4414271487   3.3873044320   1.8803918390
C   -1.6770194541  -0.7037861374  -0.0066914958
C   -0.9642718059   1.1086626689  -1.4147045833
C   -2.9188893314  -0.1011044034   0.1378042064
C    3.9973782345  -0.8685485278  -0.0172325182
C    0.7070425912   4.0990358426   0.7548022879
C    2.9187968412  -2.0670939020  -1.5195690194
C   -1.3823175177  -1.9941547433   0.6936546069
C   -2.2002105555   1.7133656457  -1.2728396458
C   -3.1707030838   1.1018288878  -0.4973747453
C    4.8251714952  -1.7502309431  -0.6242901377
H    2.0299583755   0.1014760428   1.7189120027
H    0.5825619275   0.8730710919   1.0816343982
H    3.3935991372   3.2868328383   0.9857065867
H    3.1293984501   2.1010628582   2.2652327501
H    0.7513267283   2.7406961129   2.4295384144
H    1.8027311305   4.1177335487   2.6087775807
H   -0.2065921123   1.5764256816  -2.0286783277
H   -3.6892582349  -0.5569015360   0.7432694012
H    4.1877827560  -0.1383680306   0.7484502800
H    0.2582483326   3.3974333531   0.0502560673
H   -0.0986153511   4.7198529514   1.1467961280
H    1.3788876756   4.7486739743   0.1906646057
H    2.1017935198  -2.4330702388  -2.1179296831
H   -2.3975772203   2.6556716571  -1.7648926565
H    5.8781671520  -1.8917753714  -0.4436174968
*