! 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  -6.0740650711   0.5271586541   0.6350346798
O    2.9079002124   1.5577239401   0.3404633002
O    0.2587826324  -1.5499342911   1.0039469844
N    2.0910714816  -0.5384819567   0.1204831980
N    1.5618154074  -2.7625615234  -0.3997380166
N    1.9628462749  -4.9072049570  -0.6880732969
C    1.7695899216   0.8044334997   0.6916499714
C    3.4816323489  -0.5579043041  -0.4087864840
C    4.0075479986   0.6790769853   0.3170932484
C    0.5606255068   1.4133771618  -0.0124120490
C    1.6274987075   0.7718974750   2.2117128693
C    4.3034388021  -1.7746760859  -0.0097090765
C    3.5352862910  -0.3295862281  -1.9159568765
C    0.2493323881   2.8459853406   0.4048978506
C    1.2534355340  -1.5606460563   0.3045473461
C   -0.9073508233   3.4435695380  -0.4022946550
C   -2.2104269005   2.7332615149  -0.1680251414
C    1.5123784972  -2.9837898401  -1.7541999517
C    1.8187980300  -3.9570717581   0.1912822087
C   -2.7063861299   1.8042310875  -1.0780806675
C   -2.9387086287   2.9632532738   0.9976602672
C    1.7630190965  -4.3119241588  -1.9061213168
C   -3.8910600929   1.1205543580  -0.8413596931
C   -4.1243513369   2.2921970666   1.2533010161
C   -4.5905462761   1.3720053960   0.3269099808
H    4.3517508433   0.4281427010   1.3286373315
H    4.8314138220   1.1534638896  -0.2149655091
H   -0.3086147827   0.7823013842   0.1781149990
H    0.7425150212   1.3823876100  -1.0911976814
H    0.6778033664   0.3507846971   2.5282258713
H    1.6867007397   1.7885647825   2.5996390171
H    2.4252897438   0.1945249791   2.6798957491
H    4.1224230261  -2.6404950092  -0.6439493920
H    4.1423487646  -2.0559579320   1.0312238269
H    5.3598043837  -1.5235914867  -0.1201371417
H    3.1643731806  -1.1863069770  -2.4733466534
H    2.9636284010   0.5486892606  -2.2157971022
H    4.5711724855  -0.1753051372  -2.2204001488
H   -0.0018750003   2.8900839227   1.4678953299
H    1.1263092063   3.4809213549   0.2639896379
H   -0.6580121918   3.4192584290  -1.4659339107
H   -1.0123608754   4.4961359627  -0.1304416483
H    1.2571761624  -2.2136214594  -2.4609738533
H    1.9111279584  -4.0597901410   1.2611165389
H   -2.1631031131   1.6058174855  -1.9939746897
H   -2.5801934124   3.6839306605   1.7230761114
H    1.8003090753  -4.8704410139  -2.8274712446
H   -4.2590006723   0.4034029595  -1.5624032481
H   -4.6769713938   2.4884504680   2.1620103245
*