! 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  -4.7814801754  -1.1516443969   0.4964786893
O    0.6009941814   1.1482151236   0.4355614927
O    5.2026123098  -0.3641204446  -2.4310959617
O    4.8350910034   0.6680104108  -0.4887548743
C    2.2484112072  -0.5397290855  -0.2085179838
C    1.5927270549   0.7966769372  -0.5190344783
C    3.2392520662  -0.9539019514  -1.2843138558
C   -0.6179261421   0.5671218792   0.3921078708
C   -1.4830413925   0.9053986900   1.4450952401
C   -1.0426043150  -0.2959822213  -0.6117216496
C   -2.7599630306   0.3656406559   1.4559746880
C   -1.0319213724   1.8341771903   2.5300590388
C   -2.3257650159  -0.8281219337  -0.5860257929
C    4.4860400875  -0.1188369602  -1.3373500138
C   -3.1759114841  -0.4934031442   0.4481187316
H    1.4918528304  -1.3235982871  -0.1379154363
H    2.7384178857  -0.4919888762   0.7655672330
H    1.1794833851   0.8074094239  -1.5331606270
H    2.3239144300   1.6022953048  -0.4686662819
H    2.7674296545  -0.9567200991  -2.2703275505
H    3.5587932324  -1.9860486121  -1.1121207714
H   -0.3964798976  -0.5731504009  -1.4329037664
H   -3.4340455335   0.6209647727   2.2635090749
H   -0.7770114341   2.8200550342   2.1378997396
H   -1.8145075892   1.9678168686   3.2750637783
H   -0.1466257357   1.4562905868   3.0434613994
H   -2.6415645027  -1.4979873568  -1.3737102259
H    6.0141784221   0.1662356131  -2.4217838158
*
