! 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  -6.0027812309   1.5562775582  -2.0519393671
O    2.8788698213   1.6322704411  -0.2772805706
O    1.8812361531  -1.2847833151   2.4716881621
N    2.3682488443  -0.4491370308   0.4197367757
N    1.6351615114  -2.6619543944   0.6827117819
N    1.6737691979  -4.8400223167   0.3688411385
C    2.5944626357   0.9384282591   0.9148343171
C    2.7772003702  -0.5759384275  -1.0041220260
C    3.5502570400   0.7386656757  -1.1334237540
C    1.3503400660   1.5652804138   1.5393899933
C    3.7861148658   1.0151652814   1.8643429672
C    3.7077007580  -1.7455584459  -1.2912000683
C    1.5915987559  -0.5777378243  -1.9632061922
C    0.0775383106   1.4503983154   0.7145969358
C    1.9797348472  -1.4020000868   1.2657837540
C   -1.1074794904   2.1281325160   1.4043466753
C   -2.3562567428   2.0106141074   0.5795088764
C    0.4584327000  -2.9810156847   0.0497172218
C    2.3157715050  -3.8212761215   0.8663314771
C   -2.7065765186   3.0004830474  -0.3344714297
C   -3.1618230226   0.8772292073   0.6623565586
C    0.5081098735  -4.3273474099  -0.1362473787
C   -3.8247755827   2.8717604890  -1.1454600441
C   -4.2835569603   0.7283258697  -0.1395010971
C   -4.6041981202   1.7311841354  -1.0407513335
H    4.5997364676   0.6089400756  -0.8407768138
H    3.5282151507   1.1317691272  -2.1491812628
H    1.5844026055   2.6211103299   1.7056096079
H    1.1916795665   1.1368854523   2.5294249501
H    4.6880838618   0.5913355761   1.4215052221
H    3.5938092693   0.4919113819   2.7968487831
H    3.9858067281   2.0601986052   2.1029968333
H    4.4671865784  -1.8631388295  -0.5176353655
H    4.2251979654  -1.5503642710  -2.2319656787
H    3.1812041826  -2.6897643170  -1.4146116700
H    0.9334849821   0.2751891764  -1.8030813586
H    1.9624338274  -0.5243123792  -2.9875130974
H    1.0008730174  -1.4878044814  -1.8858944541
H    0.2209335071   1.9004733370  -0.2703760811
H   -0.1762051152   0.4000955100   0.5435726285
H   -0.8746634490   3.1813093332   1.5793306455
H   -1.2650253254   1.6722703220   2.3851845798
H   -0.3018787846  -2.2513545928  -0.1719061849
H    3.2777592960  -3.8502008239   1.3535416410
H   -2.0987525830   3.8931870309  -0.4189024302
H   -2.9144813331   0.0919877811   1.3667688722
H   -0.2365738137  -4.9523847249  -0.6018020834
H   -4.0814663914   3.6533101218  -1.8475747174
H   -4.8975314840  -0.1583563005  -0.0585161110
*