! 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   2.9575552980   0.3238076630  -1.9204501046
Cl  -5.2948349259  -2.2076461804   0.9874663069
Cl   2.8671662490  -4.9280777072  -0.8000211165
S   -0.5176950369   2.7358023599   0.1024568108
N    1.9973313524   2.5136270979   1.5511300413
N    0.2130420468   0.3421082007  -0.6935902740
N    1.6054654104   3.2432743515   2.6002675892
N    3.0416545247   4.4035077368   1.3226301159
C    1.4439107603   1.2164495524   1.2617060829
C   -1.8378950270   2.2647083996  -1.0545140218
C    0.4364397236   1.2676371740   0.1350338664
C   -2.7032596424   1.1517334991  -0.5438817788
C   -2.8181454000  -0.0365840145  -1.2561815956
C   -3.4111698991   1.2879079638   0.6466391869
C    0.8856604182  -0.8733734276  -0.6650017471
C   -3.6168791282  -1.0731587167  -0.7963877558
C   -4.2112319275   0.2619812081   1.1234982400
C    2.8399179648   3.2231491756   0.7968290027
C    2.1437769703  -1.0439406085  -1.2426430050
C    0.2562277317  -1.9963748979  -0.1307294150
C   -4.3036338147  -0.9146273331   0.3955934668
C    2.7614680534  -2.2831932287  -1.2896769483
C    0.8566857790  -3.2414460767  -0.1632470281
C    2.1078472078  -3.3747602829  -0.7449071309
C    2.2609847945   4.3587733481   2.4197292803
H    0.9492595607   0.8491998017   2.1608785501
H    2.2508707232   0.5223126308   1.0318283855
H   -1.4007150670   2.0243064745  -2.0218352622
H   -2.4123537948   3.1849139889  -1.1762067259
H   -2.2737656318  -0.1639951103  -2.1821011438
H   -3.3372806902   2.2035678159   1.2204184563
H   -3.6925066854  -1.9925680124  -1.3606354699
H   -4.7550026317   0.3814067506   2.0504116703
H    3.2844433965   2.8404661439  -0.1090142579
H   -0.7265255384  -1.8844206037   0.3076858645
H    3.7379501318  -2.3883231363  -1.7411851852
H    0.3484749973  -4.0964413665   0.2599982620
H    2.1771157575   5.1784418473   3.1153095665
*