! 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
O    1.4270634930   0.9081894270  -1.4136134848
N    0.6301452213  -1.7250155950  -0.5594114027
N    0.2420569089  -2.4376151855   0.5022765710
N   -1.4589427423  -2.1940936552  -0.9401458706
C    3.6658371616   0.6326859694  -0.3994855034
C    2.1501713180   0.2525773122  -0.4032243844
C    4.1147995372   0.1610655930   0.9853751028
C    1.7200362508   0.5436908254   1.0280575490
C    2.9527750071   0.5225807584   1.9103521143
C    1.9828270179  -1.2441276731  -0.7039536523
C    3.8032349626   2.1566596378  -0.4879032099
C    4.4734406432   0.0076871847  -1.5289664594
C    0.5084652590   0.7348349682   1.5564065468
C   -0.3960795581  -1.5797898771  -1.3992312066
C   -1.0130791809  -2.6851553725   0.2305361211
H    5.0546903032   0.6249233059   1.2876397684
H    4.2860733464  -0.9184073903   0.9853384288
H    3.1076710602   1.5060230671   2.3604327525
H    2.8439871735  -0.1810661433   2.7369028566
H    2.6038694214  -1.8502538980  -0.0491234635
H    2.2989651297  -1.4436078892  -1.7283235019
H    3.5470767212   2.5349239740  -1.4794513945
H    3.1874942078   2.6896956788   0.2407392539
H    4.8388749304   2.4443274944  -0.3011626623
H    5.4976462001   0.3846562797  -1.5077569160
H    4.5351754594  -1.0788790096  -1.4555807744
H    4.0574299098   0.2571756023  -2.5072430595
H    1.4555547574   1.8566559029  -1.2497639080
H   -0.3200024042  -1.0504079637  -2.3346869576
H   -1.6315963506  -3.2592499564   0.9026670769
C   -0.8516485994   0.7388624772   0.9923101549
C   -3.5113531634   0.6835126271   0.1437298640
C   -1.2667344794   1.4687283304  -0.1211273986
C   -1.8238258515   0.0152462964   1.6891985841
C   -3.1430898368  -0.0257710134   1.2737396107
C   -2.5841071166   1.4409742440  -0.5510462466
H   -0.5744419077   2.1012683003  -0.6525155210
H   -1.5414734253  -0.5374169155   2.5764590172
H   -3.8698678464  -0.6049351560   1.8268231975
H   -2.8806901578   2.0189272286  -1.4158085543
Cl  -5.1596756035   0.6414571178  -0.3939926584
H    0.5030893988   0.8385225374   2.6401350556
*