! 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   -0.1781574293  -0.7132344177   0.9430339770
O   -1.2943019529  -0.5426508270  -1.0127143934
O    5.9975863754   1.3484390659  -0.0131337005
O    3.8619157331   1.8934142663   0.4334540522
N   -2.2775848007  -0.0633559420   1.0020339044
N    4.4680300877  -0.2138467732  -0.2326646543
C   -3.5729281021   0.3261249014   0.6350241430
C   -5.4799765140   0.3601194665  -0.8528985475
C   -4.1743009972  -0.0314096637  -0.5710570048
C    3.2590397685  -0.9073679793  -0.2231415012
C    0.9476893335  -1.2111331084   0.3100178661
C   -4.2912962820   1.0708037386   1.5673411614
C   -6.1878816368   1.1068029592   0.0862775123
C    2.0756345211  -0.4089951382   0.3207477691
C   -5.5930388651   1.4533430166   1.2888840563
C   -6.1200430160  -0.0182451815  -2.1557792586
C    3.2685473660  -2.1894677210  -0.7759024562
C    0.9394887817  -2.4845271644  -0.2286443330
C    2.1214468152  -2.9619656512  -0.7752878219
C   -1.2714618545  -0.4456212611   0.1904168592
C    4.6964679205   1.0830882266   0.0926319902
C    6.4123939552   2.6791096353   0.2899375872
H   -3.6429148279  -0.6274063792  -1.2973877596
H   -3.8331378646   1.3488315116   2.5087570209
H   -7.2058269044   1.4124274146  -0.1222708191
H    2.0201140555   0.5717780180   0.7654019345
H   -6.1441485437   2.0297687363   2.0202167869
H   -2.0516159763   0.0341418654   1.9818475696
H    4.1818640944  -2.5849348889  -1.2030763630
H    0.0476381841  -3.0960768150  -0.2116928082
H   -6.2904246043   0.8613543182  -2.7789864755
H   -5.5008058487  -0.7100212380  -2.7250134091
H   -7.0909268149  -0.4891842453  -1.9983131206
H    2.1502566673  -3.9540430867  -1.2046543380
H    5.2699335923  -0.7427995528  -0.5443856148
H    7.4910755696   2.6867748218   0.1637068957
H    6.1720386347   2.9510241209   1.3172778512
H    5.9688234065   3.4037092581  -0.3923953840
*