! 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  -0.1273851358   3.1252677101   1.6412496467
Cl   0.2753001706   4.1135993211  -1.3207635697
F    3.7021334240  -3.0997366065   2.8518231537
F   -2.5252431421   2.2073330463  -1.0890408794
F   -3.5717336851   0.6220331473  -2.1601803227
O   -1.1598474285  -1.5533710621  -2.8202224924
N    0.4552225220  -2.4594935468  -1.5500688455
N   -2.1093175630  -0.7909536536   1.4804526583
N   -2.5362162646   0.2300033369   0.7478556898
C    1.7835757809  -1.4548638752   0.2693416638
C    1.2814018204  -2.5734954234  -0.4106686761
C   -1.3282349320  -1.1843741658  -0.5153847515
C    1.4548375346  -0.0716665574  -0.1333315447
C   -2.0824915378   0.0035798264  -0.4658742415
C   -0.6791239313  -1.7370032769  -1.7065505223
C   -1.3730839825  -1.6601793471   0.7803458551
C    2.5867788291  -1.6536847479   1.3892925891
C    1.6260967667  -3.8512447798   0.0150539181
C    0.9270458349   0.8023577025   0.8110497351
C    1.6409509608   0.3773991671  -1.4378702184
C    2.9102130172  -2.9347845430   1.7832949825
C    2.4526673763  -4.0471021168   1.1080497118
C   -2.3795302969   0.9483012768  -1.5762482178
C   -2.3958613226  -0.8341438662   2.8960084491
C    0.5601342241   2.0886237500   0.4544591855
C    1.2841522227   1.6660398782  -1.7943184197
C    0.7336642342   2.5239708061  -0.8540414779
H    0.7933000433  -2.9090185645  -2.3912870905
H   -0.9622851351  -2.5466303122   1.2347785068
H    2.9833576533  -0.8060358396   1.9334265600
H    1.2325965800  -4.7091294842  -0.5136784583
H    0.7681645671   0.4717172459   1.8292519257
H    2.0731006142  -0.2713587936  -2.1870053389
H   -1.6157528360   0.9607435523  -2.3521903486
H    2.7201566837  -5.0439135643   1.4310734091
H   -2.0237010355  -1.7688854177   3.3031033702
H   -1.9082012471  -0.0053386763   3.4046277806
H   -3.4681592691  -0.7750948910   3.0611591992
H    1.4349457406   2.0070547414  -2.8091647555
*