! 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   -2.2805995502  -1.2594687404  -1.1286907601
O   -0.4242814712   3.2173281175  -1.0587354369
O   -1.8305070247   1.2711098579   0.1571429785
O   -3.3527602037  -1.4012257836   0.8199763788
N   -0.1128820798  -0.1786600311   0.2213365357
C   -0.9501952462  -1.2133500102   0.8266454340
C    1.2892981775  -0.4259394497   0.1184199955
C    2.1589191814   0.0643428153   1.0983698684
C    1.7604056645  -1.1837267429  -0.9636604893
C   -1.0357569298  -1.1051408670   2.3392639388
C   -0.6551188991   1.0245349828  -0.0674676134
C   -2.3326969435  -1.2665478212   0.1891691290
C    3.5155338613  -0.2384873647   0.9870429160
C    3.1191111871  -1.4630985823  -1.0357521831
C    1.7217591877   0.9311392875   2.2437665870
C    0.8378721893  -1.6779835262  -2.0358103350
C    3.9925545404  -0.9999510641  -0.0628520693
C    0.2588828047   2.0399757663  -0.7441974448
C   -3.5217428438  -1.2780584001  -1.8331434263
C   -0.4939695671   4.1318984497   0.0164780726
H   -0.4797225363  -2.1717172466   0.5835839159
H   -1.5096226495  -0.1781741630   2.6593498944
H   -1.6029927268  -1.9392041169   2.7483492013
H   -0.0390405372  -1.1538328269   2.7746225389
H    4.2011395007   0.1353132326   1.7377084585
H    3.4970463409  -2.0460098942  -1.8663088775
H    0.6557463686   1.1407022688   2.2601584326
H    1.9742043783   0.4663449422   3.1974338957
H    2.2423838800   1.8895110373   2.2123081082
H    0.1918469625  -0.8881289631  -2.4171191287
H    1.4101523907  -2.0739304251  -2.8730335119
H    0.1882204726  -2.4796603960  -1.6819061164
H    5.0484904120  -1.2258431579  -0.1321797419
H    1.1411744583   2.2429188112  -0.1250124746
H    0.6306319678   1.6056124145  -1.6779755886
H   -3.2673190802  -1.2282794709  -2.8876150258
H   -4.1380819663  -0.4177928244  -1.5727461947
H   -4.0785919356  -2.1950123097  -1.6418404433
H   -1.0486004910   3.7398709444   0.8730092089
H   -1.0082355487   5.0219443907  -0.3433429904
H    0.5042698414   4.4257812689   0.3583134366
*