! 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  -4.4296848489  -0.1612203076  -0.5760599431
O    1.3512661739   0.3290900766   0.1711733989
O    3.2432528987   0.0087799550   1.8156536503
O    4.5838710670  -0.9702235524   0.3241401668
C    2.2928535692  -0.6262444258  -0.2691857259
C    0.0302085089   0.1451163242  -0.0441785759
C   -0.8038085962   1.1194451998   0.5254288609
C   -0.5131998882  -0.9104923755  -0.7651469453
C    2.6770505407  -0.4155680755  -1.7223135364
C   -2.1737547404   1.0043856647   0.3488163566
C   -0.2212186586   2.2561332766   1.3077227550
C   -1.8892118649  -1.0127025508  -0.9299168843
C   -2.7095167924  -0.0527263824  -0.3736656183
C    3.5032200415  -0.5363076804   0.6424286379
H    1.9072605636  -1.6455085824  -0.1284798455
H    3.4083141278  -1.1573041879  -2.0363510850
H    3.1008462034   0.5769530286  -1.8756308811
H    1.8091556262  -0.5197742605  -2.3721934157
H    0.1072002846  -1.6719001813  -1.2171109793
H   -2.8262921885   1.7496746930   0.7850269485
H    0.4117146196   1.9026095971   2.1226651294
H    0.3960388301   2.9022340227   0.6811513935
H   -1.0093243460   2.8704097812   1.7394654963
H   -2.2985358667  -1.8388637711  -1.4943878238
H    4.0421795275  -0.0052153966   2.3660201605
*
