! 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  -5.6543572670   2.1331941845  -2.4858801234
O    2.8949945663   1.5161483738   0.6172782188
O    1.7093718342  -2.2436362103  -1.4007005719
N    2.5377440428  -0.5975156735  -0.0760889588
N    1.3185434226  -2.3958976855   0.8263040303
N   -0.2271100255  -3.3638822444   2.0602355474
C    2.5087113678   0.2688723993   1.1463840333
C    3.2121543130   0.1100626646  -1.1941191323
C    3.8212085614   1.2730571707  -0.4160767556
C    1.1276251927   0.4515379783   1.7691760728
C    3.5237135764  -0.1731013151   2.1962715756
C    4.3029757672  -0.7203810654  -1.8517303715
C    2.2148170381   0.6402013841  -2.2223700539
C    0.0110986940   0.8342202618   0.8095100115
C    1.8735988444  -1.7315899519  -0.3108807641
C   -1.3344133668   0.9337016488   1.5305217037
C   -2.4470561388   1.2390240000   0.5702111422
C    1.9828791368  -3.0362284432   1.8435410029
C   -0.0062131120  -2.6448859943   0.9974066271
C   -2.6569655162   2.5379312318   0.1122102457
C   -3.2554951520   0.2253820639   0.0644314309
C    1.0094347759  -3.6218694226   2.5912941376
C   -3.6388754285   2.8225937845  -0.8242069701
C   -4.2446796657   0.4887461043  -0.8725253431
C   -4.4252680159   1.7898934805  -1.3111674024
H    4.8119712302   1.0180204868  -0.0204617997
H    3.9197622272   2.1725154501  -1.0227366873
H    1.2389550210   1.2377941536   2.5218182387
H    0.8563735461  -0.4407498406   2.3349599093
H    4.4957599336  -0.4023795105   1.7602328936
H    3.1890503240  -1.0479443994   2.7467806585
H    3.6554705365   0.6305369484   2.9212834262
H    4.9600904982  -1.1748310794  -1.1096074830
H    4.9142408337  -0.0687892045  -2.4782807681
H    3.9040690959  -1.5055175519  -2.4896095473
H    1.4695877088   1.2889354224  -1.7611491389
H    2.7499857750   1.2292491032  -2.9683615997
H    1.6966518457  -0.1598329722  -2.7447825685
H    0.2354076574   1.7905447764   0.3318853472
H   -0.0849902087   0.1085691999  -0.0033832884
H   -1.2779699654   1.7077163394   2.3000275562
H   -1.5408251029  -0.0072991947   2.0483537547
H    3.0564167458  -3.0586003642   1.9136353404
H   -0.7556267970  -2.2711231066   0.3169869572
H   -2.0450268180   3.3478971412   0.4907210874
H   -3.1196240514  -0.7937627517   0.4066158910
H    1.1360920350  -4.2232442818   3.4768344868
H   -3.7866205888   3.8374994116  -1.1673647632
H   -4.8629003562  -0.3133673419  -1.2519785210
*