! 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  -4.2687701706   2.3817327785  -2.9607709728
O    2.2912651143   1.3223900309   0.7022890364
O    2.6158364189  -2.6177596515  -1.2769096236
N    1.9953144488  -0.7121885570  -0.2103281310
N    1.5022735778  -2.8200885960   0.6912297772
N   -0.0415454068  -3.9245660244   1.8070469015
C    1.7312812732   0.0753791950   1.0395985199
C    2.4150249604   0.1917268675  -1.3097093610
C    2.0598839668   1.5325762887  -0.6707833932
C    0.2247287434   0.2140490664   1.2989206943
C    2.4888813189  -0.4325323060   2.2531400305
C    3.9187021738   0.1251136880  -1.5663512146
C    1.6174808829  -0.0212191882  -2.5859111904
C   -0.1502539616   1.3652084079   2.2232083837
C    2.0952629428  -2.0352784166  -0.3463868346
C   -1.6691390044   1.4774115777   2.3962433724
C   -2.3705025434   1.7125641567   1.0878991345
C    2.1702696229  -3.7193412985   1.4860120042
C    0.1744349798  -3.0024213226   0.9131512305
C   -3.0972521932   0.7038272098   0.4626727425
C   -2.2514024097   2.9372394922   0.4336643762
C    1.1998959696  -4.3702955167   2.1802218107
C   -3.6864159444   0.8985802651  -0.7791649232
C   -2.8327186447   3.1533614495  -0.8058692921
C   -3.5445103384   2.1252799381  -1.4046110618
H    2.6998309621   2.3423861673  -1.0190737999
H    1.0172972060   1.8146084658  -0.8699954959
H   -0.1444318231  -0.7126433426   1.7409576736
H   -0.2992420033   0.3269008776   0.3463748818
H    2.5181330029   0.3531500662   3.0085030313
H    3.5178796871  -0.6903773909   2.0014656378
H    2.0117523831  -1.2946706244   2.7126391708
H    4.4877284997   0.3329573805  -0.6592762045
H    4.1886642764   0.8776710834  -2.3085056255
H    4.2290560475  -0.8427758973  -1.9516682846
H    1.8040508188   0.8136993509  -3.2636830638
H    1.8967842243  -0.9336861349  -3.1082577544
H    0.5453760549  -0.0497225447  -2.3861963071
H    0.2998537698   1.2259820351   3.2090308312
H    0.2329461889   2.3110841853   1.8352882036
H   -1.8812497083   2.2991575633   3.0839633903
H   -2.0543940359   0.5685915741   2.8643767102
H    3.2449375099  -3.7859163005   1.5035201811
H   -0.5809139823  -2.4685136287   0.3588271135
H   -3.2059286676  -0.2595957569   0.9459870902
H   -1.6957328289   3.7442159932   0.8963095349
H    1.3297835503  -5.1347543359   2.9289897291
H   -4.2430965036   0.0988673228  -1.2485133520
H   -2.7300778959   4.1121621598  -1.2956162445
*