! 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   5.7903496391   1.9511619031  -0.6119266394
O   -2.3845792107  -1.3766583261  -1.3129242990
N   -2.4127849342   1.3400292307  -0.0436723153
N   -2.5219589555   1.4821342072  -1.3684787869
N   -1.8811773381   3.4127151291  -0.4340284545
C   -1.8283023107  -1.0641101845  -0.0505642765
C   -1.7671173559  -2.3542862090   0.7847706872
C   -0.3271601873  -0.7454865723  -0.2505000008
C   -0.6348529802  -3.1486169184   0.1077581366
C    0.2445018618  -2.1196770486  -0.6296000728
C   -3.0190893455  -3.2003690204   1.0717589664
C   -2.6375104236   0.0599815976   0.6028749662
C    0.3832636770  -0.1637124098   0.9838844892
C   -3.9474678153  -2.5684386469   2.1058006605
C   -3.8225604738  -3.6564257904  -0.1425745433
C    1.7418928798   0.3682842757   0.6263476011
C   -2.0254799589   2.4939485507   0.4947061311
C    2.9065176566  -0.3234051433   0.9426600833
C    1.8601573745   1.5674827678  -0.0750291400
C    4.1553171060   0.1546017558   0.5678536686
C    3.0959267151   2.0634879141  -0.4565255362
C   -2.1911841567   2.7361570968  -1.5530514292
C    4.2377590316   1.3455669660  -0.1328811306
H   -1.4001359953  -2.0445460851   1.7703669130
H   -0.2095749090  -0.0308501077  -1.0716408040
H   -1.0364861325  -3.8831929169  -0.5921485692
H   -0.0727699948  -3.7117256801   0.8539086533
H    1.2982477138  -2.2059470487  -0.3604006248
H    0.1927174826  -2.2696227522  -1.7075211278
H   -2.6161401421  -4.1068733209   1.5399929742
H   -2.3871882977   0.1856027477   1.6546923709
H   -3.7020399263  -0.1673355327   0.5495245459
H    0.4801156300  -0.9230674765   1.7632420755
H   -0.1987638355   0.6486772189   1.4238250181
H   -2.3803079917  -0.5642225441  -1.8391906799
H   -4.7010227305  -3.2871825667   2.4333045615
H   -3.4031219990  -2.2403813083   2.9936514543
H   -4.4880602811  -1.7078955152   1.7093870832
H   -3.1957929338  -4.0863365019  -0.9242392873
H   -4.3936815137  -2.8409913197  -0.5844626476
H   -4.5349930801  -4.4273827612   0.1581455245
H   -1.8769047764   2.6278952041   1.5546473600
H    2.8478176858  -1.2530497935   1.4953158530
H    0.9713765212   2.1345628781  -0.3290512163
H    5.0484586442  -0.4002088175   0.8209817834
H    3.1651197524   2.9970301030  -0.9981484957
H   -2.1763452705   3.1780991148  -2.5367756561
*