! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -5.0247045262  -0.1485030005   1.3950762406
S   -2.0732278547  -1.6209399841   0.0031573188
O   -1.8933748635  -2.0175086976  -1.3783208733
O   -2.9364386138  -2.3872470222   0.8679674543
O   -1.0804532946  -0.7589962245   2.6521411320
O    2.9305502124  -1.8891285188  -2.0263582337
O    5.5296129660   0.0191809173   1.3130489455
N   -1.9076099327   1.0584387243  -0.4815111704
N   -0.7154730468   0.9666644991  -1.0522186639
N   -3.7767300466   1.9278317994   0.3505848342
N   -0.5299328091  -1.5757864111   0.6033129692
N    1.0999493698  -0.7857670539   2.0563163131
N    2.0080036621  -1.3839120030   0.0029830101
N    3.3154924702  -0.3984691237   1.7018087750
C   -2.6102884930   0.0228849697   0.0776262762
C   -0.2026765924   2.0859845368  -1.4856541999
C    1.1770199905   2.0113069670  -2.0580701194
C   -2.6447999820   2.1927620967  -0.2927436297
C    2.2594981455   2.2631747421  -1.0007603310
C   -0.8890160241   3.3284499617  -1.3837756396
C   -2.1090481962   3.3910820593  -0.7866664200
C   -3.7514639634   0.6186002179   0.5804970636
C    2.2618714856   3.6684396599  -0.4206944894
C   -0.2337359042  -1.0243982574   1.8248496363
C    2.1844604265  -0.8651754508   1.2059207368
C    3.0656742265  -1.4077256750  -0.8022419056
C    4.3644245880  -0.4399108843   0.8906904776
C    4.3061061557  -0.9428409169  -0.4042350259
C    1.6448507927  -2.3355739242  -2.4546368042
C    5.6215650636   0.5912427409   2.6165253164
H    1.3264157446   1.0247815857  -2.4990009052
H    1.2747699899   2.7416880034  -2.8637930032
H    3.2270834244   2.0574461665  -1.4626917177
H    2.1431548361   1.5384492122  -0.1917600374
H   -0.4274270235   4.2180153757  -1.7878356053
H   -2.6608651983   4.3138105016  -0.6811970880
H    1.3580139723   3.8821756141   0.1519732434
H    3.1067139946   3.8006249198   0.2561467566
H    2.3468030660   4.4237130295  -1.2041330497
H    1.2965057597  -0.3866822055   2.9650325895
H    5.1659310688  -0.9592045427  -1.0574550218
H    1.7806784166  -2.6888811724  -3.4729476877
H    0.9170796285  -1.5230514631  -2.4590903118
H    1.2780552348  -3.1588520497  -1.8412913794
H    5.3937471946  -0.1371249752   3.3943976705
H    4.9640277772   1.4536449417   2.7244384086
H    6.6535793941   0.9143019877   2.7215772973
H    0.2492655381  -1.6584598660  -0.0681058469
*