! 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  -6.3802122990   4.8020209074   0.4914199936
O    1.8478154623   1.0477732365  -0.0288793376
O    1.3266971426  -2.8171655990   1.3393292263
N    2.2960193733  -1.1624074511   0.1222485911
N    3.0574860163  -3.3765986776  -0.0128568279
N    4.5629074947  -4.9820864399  -0.0250522261
C    1.3076828358  -0.1230061027   0.5401786169
C    3.4666638225  -0.5283429224  -0.5430907792
C    3.2471388190   0.9025337258  -0.0539402066
C   -0.0506485498  -0.3764821869  -0.1072090488
C    1.2312153246   0.0328865311   2.0579919340
C    4.8239913802  -1.0278077749  -0.0691362293
C    3.3654758561  -0.5716642447  -2.0645368230
C   -1.0814217885   0.7157431119   0.1542224304
C    2.1540952485  -2.4214545565   0.5410471383
C   -2.3865257170   0.4295266692  -0.5906665436
C   -3.4105487149   1.4989467002  -0.3449808218
C    3.1406869525  -3.8154782260  -1.3118626650
C    3.9244481399  -4.1234899113   0.7176628076
C   -3.4594735052   2.6370780254  -1.1459435432
C   -4.3011093490   1.4068819024   0.7214081044
C    4.0746645699  -4.8038253148  -1.2930484388
C   -4.3669438288   3.6562682662  -0.8981254722
C   -5.2167258144   2.4146832631   0.9867975507
C   -5.2396648840   3.5346633810   0.1713408852
H    3.6906505218   1.0542770965   0.9377398421
H    3.6695267389   1.6415121697  -0.7328932058
H   -0.4454108993  -1.3286850281   0.2508278021
H    0.1007613996  -0.4808292517  -1.1855433390
H    0.6376637916  -0.7490263917   2.5235532447
H    0.7677582796   0.9900553153   2.2964150570
H    2.2206281014   0.0236788776   2.5173197082
H    5.1302328414  -1.9562688981  -0.5475927564
H    4.8595507707  -1.1565088978   1.0128425641
H    5.5730994366  -0.2791670942  -0.3332362923
H    3.5097908743  -1.5753984655  -2.4564343132
H    2.4040814714  -0.2005079530  -2.4198691329
H    4.1472223041   0.0541772891  -2.4964179966
H   -1.2958423694   0.7922947597   1.2232154663
H   -0.6972108337   1.6893228032  -0.1599360817
H   -2.7783213775  -0.5402050068  -0.2735589178
H   -2.1818590862   0.3517753218  -1.6613914467
H    2.5081274922  -3.4385663053  -2.0964113070
H    4.0551082228  -3.9769267281   1.7785610192
H   -2.7798942319   2.7342830265  -1.9840996352
H   -4.2867427342   0.5317681943   1.3599186805
H    4.4103644467  -5.4026809914  -2.1243662342
H   -4.3914759781   4.5306999863  -1.5341381360
H   -5.9022229337   2.3228176970   1.8183216799
*