! 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  -0.4062680509   0.0469158198  -2.5691202847
Cl   4.2326815961  -1.8236681761  -0.7363245340
O   -2.3335032386  -0.3307669134  -0.3512641733
O   -1.6826234156  -0.0796019135   1.7536002013
N   -0.1990437724   2.4022522326   0.7269986920
N    0.0592101979   2.5305318360   2.0301758560
N    1.8398490947   3.1490673173   0.8104835715
C   -1.3345042107   0.2337733557   0.4356889900
C   -2.7476396736  -1.5433274500   0.2739468617
C   -2.2554951724  -1.3793916298   1.7222331771
C   -1.3881302334   1.7550564110   0.2435663736
C    0.0525222859  -0.3203582637   0.1023511295
C   -4.2473253086  -1.7018614731   0.1410416720
C   -4.7204202933  -1.8016723085  -1.3001537069
C    0.5387975395  -0.4319599081  -1.1985979397
C    0.9184892464  -0.6703779515   1.1347555844
C    1.8182587281  -0.8945786873  -1.4668941784
C    2.2003919818  -1.1353748580   0.8978308455
C    0.8741398516   2.7567100858   0.0195001275
C    2.6375933971  -1.2469092897  -0.4094013630
C    1.2846836201   2.9846895761   2.0248869370
H   -2.2435523492  -2.3900072934  -0.2058364685
H   -3.0639750016  -1.4138121560   2.4534144290
H   -1.5203071418  -2.1444443631   1.9856228286
H   -2.2600689453   2.1601887616   0.7552132647
H   -1.4858192037   1.9890903723  -0.8143881354
H   -4.7432281835  -0.8705925146   0.6508731733
H   -4.5288830739  -2.6087666565   0.6820596829
H   -5.7973030370  -1.9651109350  -1.3423740807
H   -4.5055343551  -0.8936933430  -1.8634416676
H   -4.2412627888  -2.6347828260  -1.8172883074
H    0.5907014188  -0.5778680606   2.1599953817
H    2.1677250371  -0.9713582719  -2.4868660556
H    2.8422443035  -1.4022705869   1.7253685765
H    0.8983072923   2.7357230235  -1.0587125703
H    1.8020140417   3.2181237793   2.9418199039
*
