! 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  -6.4604499480   3.7254105009   1.1922382863
O    2.1411957193   1.0044248017   0.8029039788
O    4.4123031064  -2.4893590729  -0.6916513723
N    2.9373474389  -0.8250593219  -0.2403283951
N    2.2650575639  -3.0757140131  -0.2424057280
N    0.6219161612  -4.4369764463  -0.7845192637
C    1.7121812836  -0.2851242214   0.4326282889
C    3.9157842950   0.2638884362  -0.4816207266
C    3.0186838109   1.4657136875  -0.1980506528
C    0.5348084061  -0.1938584958  -0.5455713034
C    1.3497621804  -1.0102004366   1.7178426953
C    5.0653168548   0.2260313426   0.5237160548
C    4.4247025704   0.3003025172  -1.9139996723
C   -0.6508333312   0.5987881063  -0.0096165539
C    3.2988102581  -2.0993488867  -0.4022967139
C   -1.7825631102   0.6610284928  -1.0367302420
C   -2.9666647864   1.4206111639  -0.5131044642
C    2.2392360585  -4.0524074084   0.7226823515
C    1.2827811616  -3.3701328829  -1.1335433151
C   -3.9860991924   0.7686659572   0.1758679821
C   -3.0507032486   2.8031133847  -0.6580942519
C    1.2047072308  -4.8647560206   0.3800079186
C   -5.0623864944   1.4666466297   0.7036229971
C   -4.1180309481   3.5201556949  -0.1378985156
C   -5.1177398203   2.8415330756   0.5407575921
H    3.5754358029   2.3199778049   0.1853295905
H    2.4772508706   1.7869691021  -1.0960870118
H    0.1940967789  -1.2004561225  -0.7884252282
H    0.8707709034   0.2470403126  -1.4887165898
H    0.7130652463  -0.3656646439   2.3231368424
H    2.2379748371  -1.2422941161   2.3055912164
H    0.7939753603  -1.9275091124   1.5401351650
H    5.6864484455  -0.6578150821   0.4022938319
H    4.6981108418   0.2503729459   1.5504855754
H    5.7014667132   1.0996628244   0.3767085874
H    3.6062193483   0.2178354115  -2.6297614357
H    4.9216508643   1.2556344630  -2.0903322057
H    5.1469086004  -0.4862578921  -2.1199525462
H   -1.0325198723   0.1417023294   0.9072130187
H   -0.3457842163   1.6150380295   0.2498048006
H   -2.0848808124  -0.3544039305  -1.3049918858
H   -1.4148776246   1.1317204991  -1.9519699318
H    2.9223357755  -4.0612857241   1.5552016430
H    1.1300076112  -2.7973225861  -2.0344728951
H   -3.9462354248  -0.3064392601   0.3032441372
H   -2.2719954441   3.3358973529  -1.1906140861
H    0.8470237384  -5.7329164897   0.9095182881
H   -5.8466919638   0.9415394734   1.2316499137
H   -4.1674799173   4.5931739597  -0.2642657269
*