! 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  -6.0188494969   2.2416883277  -1.9442998408
O    2.9557125960   1.5594753930   0.1282526368
O    1.3919539820  -1.6507936422   2.2133464738
N    2.3113158511  -0.5945638656   0.4272812883
N    1.7416681059  -2.8718301039   0.3352512356
N    0.8024268763  -4.6155891709  -0.6250231864
C    2.5018067405   0.6952741474   1.1486610997
C    2.6766404040  -0.4544572331  -1.0055704144
C    2.5456390103   1.0607926698  -1.1241548322
C    1.2176782312   1.2472593361   1.7804357398
C    3.6053736658   0.5894737977   2.1891141173
C    4.1205799152  -0.8722412563  -1.2675923203
C    1.7219074207  -1.1174052772  -1.9877256645
C   -0.0187545370   1.3075769366   0.8933751310
C    1.8078022218  -1.6489089667   1.0710394594
C   -1.2555901223   1.7118338459   1.6984911802
C   -2.4671437959   1.8499495231   0.8232271712
C    2.7664907428  -3.7159598977  -0.0135661095
C    0.5840975469  -3.4699386284  -0.0447735618
C   -3.2333718126   0.7381802936   0.4808149998
C   -2.8237604061   3.0844165101   0.2871407575
C    2.1620890500  -4.7820290763  -0.6046870472
C   -4.3246531582   0.8477617559  -0.3680805565
C   -3.9119894135   3.2160464969  -0.5630892092
C   -4.6543580656   2.0911901464  -0.8840831740
H    3.1961285726   1.4685344556  -1.8982406338
H    1.5150592673   1.3468594856  -1.3612124196
H    1.4619750721   2.2583530707   2.1195563427
H    0.9898346282   0.6785912303   2.6812102768
H    3.3301620655  -0.0879085561   2.9944622120
H    3.7915528542   1.5683513132   2.6322654634
H    4.5336918283   0.2347158107   1.7411551407
H    4.2716682249  -1.9395862324  -1.1242417402
H    4.8207741633  -0.3402770744  -0.6233091392
H    4.3815306187  -0.6445720023  -2.3016542666
H    0.6783188464  -0.9660335735  -1.7091228560
H    1.8669874311  -0.6537827715  -2.9648511234
H    1.9078830816  -2.1815852164  -2.1183826528
H    0.1215405976   2.0281547617   0.0844061893
H   -0.2117969858   0.3403368955   0.4189797182
H   -1.0607804892   2.6573495375   2.2106357442
H   -1.4375611251   0.9651013756   2.4756251422
H    3.7965048446  -3.5148665870   0.2242356405
H   -0.3800810391  -3.0133214886   0.1170049576
H   -2.9808355443  -0.2349686708   0.8848808856
H   -2.2455695241   3.9656128367   0.5376794476
H    2.6350674475  -5.6637771782  -1.0059402213
H   -4.9096740670  -0.0263896345  -0.6197080601
H   -4.1750157027   4.1846580002  -0.9660013179
*