! 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  -5.0584321408   1.1131028715  -2.3278236388
O    2.0337465321   1.5234644980  -0.5709076656
O    1.9810428197  -1.3083119402   2.4549419631
N    1.9534065922  -0.5586075410   0.3091141556
N    1.7681964862  -2.8402200966   0.7951287458
N    0.8038090322  -4.6737040791   0.0518838312
C    1.8977372624   0.8877771628   0.6800124857
C    2.2243183355  -0.7103876186  -1.1455218312
C    2.7980231413   0.6813524730  -1.3998838163
C    0.5193242912   1.2330700826   1.2369957166
C    3.0462130146   1.3113348885   1.5906296057
C    3.2611861250  -1.7664788664  -1.4976349412
C    0.9491363219  -0.8965662657  -1.9631607161
C    0.2687481509   2.7233814497   1.4308215744
C    1.9170161284  -1.4981313332   1.2558204545
C   -1.1729173849   3.0083122249   1.8655513688
C   -2.1804955928   2.5573407314   0.8454629168
C    2.6515980382  -3.8634748659   1.0344765152
C    0.6690306019  -3.3885652719   0.2154093221
C   -2.3372975852   3.2547670223  -0.3507512141
C   -2.9402988373   1.4074688337   1.0380118495
C    2.0448207065  -4.9783211606   0.5478226660
C   -3.2182968041   2.8212525970  -1.3290879073
C   -3.8280672787   0.9556111006   0.0714769923
C   -3.9564939139   1.6684892641  -1.1083036176
H    3.8651350292   0.7194204845  -1.1477353491
H    2.6800253366   0.9978496332  -2.4353661883
H    0.3797578863   0.7198287266   2.1905068513
H   -0.2249394070   0.8250234700   0.5481178703
H    4.0069953328   0.9480042780   1.2240820615
H    2.9176670873   0.9587559496   2.6097112375
H    3.0943702431   2.3999008152   1.6192783436
H    2.8556485837  -2.7761848727  -1.5233197236
H    4.1128567799  -1.7472518890  -0.8171077046
H    3.6376091550  -1.5541902245  -2.4997092148
H    0.5035975100  -1.8780114700  -1.8160271210
H    0.1977969957  -0.1432458754  -1.7264290973
H    1.1845630970  -0.8108897779  -3.0244507841
H    0.9405603863   3.1270874949   2.1916496600
H    0.4758754451   3.2692721414   0.5073826844
H   -1.2789844497   4.0814556103   2.0390709715
H   -1.3700145658   2.5157614525   2.8208279429
H    3.6144607891  -3.7000826660   1.4884334439
H   -0.2140037561  -2.8122453826  -0.0083968289
H   -1.7615658322   4.1552904815  -0.5288177876
H   -2.8382143733   0.8448253750   1.9579720379
H    2.4342948859  -5.9832622333   0.5269311256
H   -3.3261256144   3.3766142007  -2.2509387940
H   -4.4067630601   0.0576578115   0.2403947929
*