! 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  -6.1032133107   0.7791578358   0.4335121484
O    2.8662897805   1.4504712238   0.6714359201
O    0.0194081512  -1.5459088256   0.6113871311
N    2.0506379937  -0.6067710280   0.2357583792
N    1.6687527453  -2.8799988946  -0.2007293150
N    1.7458607396  -4.7157612770  -1.4124734230
C    1.6588171441   0.7328931924   0.7675757771
C    3.3993937849  -0.5452306363  -0.3845286866
C    3.5411062310   0.9759448755  -0.4689279948
C    0.5737438507   1.3671553690  -0.1138225272
C    1.2753843535   0.6837285262   2.2361305499
C    4.4771139625  -1.1145868909   0.5329320263
C    3.4949316945  -1.1439682219  -1.7807454913
C    0.3075121658   2.8333484623   0.2026828677
C    1.1779833564  -1.6134339747   0.2499441606
C   -0.8053481549   3.4238347295  -0.6690867886
C   -2.1414977801   2.7830543172  -0.4209412225
C    2.4222157721  -3.7802688570   0.5124530608
C    1.2736962598  -3.5037365029  -1.3392121217
C   -2.9002784782   3.1396463930   0.6922196842
C   -2.6386137951   1.7913068368  -1.2619885061
C    2.4591569463  -4.9012313748  -0.2573570395
C   -4.1163218731   2.5314149640   0.9630294781
C   -3.8526389395   1.1684602867  -1.0085626999
C   -4.5823457175   1.5461750793   0.1062140520
H    4.5808641547   1.2976742018  -0.4292563250
H    3.0979923185   1.3646350142  -1.3940243641
H   -0.3438846209   0.7919333892   0.0035098437
H    0.8578285993   1.2760243352  -1.1669926414
H    1.2792081518   1.6902295189   2.6534203331
H    1.9864693352   0.0849730969   2.8052069661
H    0.2797895299   0.2731971082   2.3812832567
H    4.4040529994  -2.1962968869   0.6265593226
H    4.4299547754  -0.6801513016   1.5315720532
H    5.4609835115  -0.8953912669   0.1165475520
H    3.6328744073  -2.2233933674  -1.7735323560
H    2.6235977536  -0.9012232019  -2.3897039530
H    4.3693037899  -0.7195598549  -2.2771556227
H    0.0329181268   2.9583136810   1.2536005160
H    1.2133436314   3.4217679470   0.0451638330
H   -0.5353609936   3.3221378703  -1.7230861419
H   -0.8722880682   4.4948582464  -0.4660130215
H    2.8187439379  -3.5632988914   1.4895812543
H    0.6586512095  -3.0148231384  -2.0785411149
H   -2.5417442121   3.9107293310   1.3638438773
H   -2.0714884410   1.4933126526  -2.1354185038
H    2.9541164913  -5.8330336061  -0.0359807330
H   -4.6924563070   2.8258056956   1.8297334372
H   -4.2200512548   0.3997826739  -1.6747638676
*