! 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    1.9084435508   2.0748671433   0.5696774198
O   -2.1335145490   1.2014616076  -1.8996639919
O   -1.9979645429   1.7666008807   0.7962499766
O    3.4095119491  -2.1790421600  -0.1105303640
O   -1.4911775854  -2.8725524348   0.0771702359
O    3.9483997525  -0.0603753739   3.9910748302
O   -5.7423214118  -1.3367324885  -0.9743368593
O   -0.2314411309   0.6752428359   1.6110538221
N    2.6741223950  -0.0347231951   0.1798300960
N   -1.7529766122  -0.8439222581  -0.9524123438
N    2.9340992197   1.0459629103   2.2630507588
N   -3.9177890212  -0.0395107926  -1.4492665554
C   -0.1244014936   1.5943385881  -0.5875537730
C    1.2150622205   1.9783700291  -0.6166091894
C   -0.8048563396   1.5348144026  -1.8070420644
C    1.8479056451   2.3415825990  -1.7895353008
C   -0.1785287271   1.8672014010  -2.9938629964
C    1.1415644742   2.2887773361  -2.9780182091
C   -0.7681119993   1.2763133956   0.7142494644
C    2.5254545994   0.9619176261   1.0165512629
C   -2.6072494403   0.0444038405  -1.3983318779
C    3.2509915953  -1.1216508624   0.6744156876
C   -2.2857527780  -1.9456797098  -0.4337751691
C    3.5145438507  -0.0472412184   2.7394379438
C   -4.4311579324  -1.1596991252  -0.9558112175
C    3.6930881720  -1.2015299247   1.9853196908
C   -3.6527728617  -2.1702276397  -0.4055708522
C    3.1366207314  -2.0406400519  -1.5049004557
C   -0.0788650202  -2.6752690301   0.0207246810
C    3.7578452852   1.0988781778   4.7989983203
C   -6.5692381218  -0.3201818097  -1.5364142820
H    2.8813416873   2.6588489332  -1.7686700683
H   -0.7283382974   1.8056931922  -3.9231113562
H    1.6260735292   2.5634483891  -3.9044648525
H    4.1589078932  -2.0883975454   2.3888795067
H   -4.0841649565  -3.0683068679   0.0111974808
H   -2.3925428147   1.5303666650   1.6509019077
H    2.1312657811  -1.6717920769  -1.6972997686
H    3.8520035377  -1.3687726934  -1.9794206752
H    3.2457248751  -3.0359852221  -1.9263955974
H    0.2724851026  -2.6858367798  -1.0105973181
H    0.2154245899  -1.7421123557   0.4982797065
H    0.3558846376  -3.5149457038   0.5562864162
H    2.7018625012   1.3403341538   4.9149625162
H    4.1756371882   0.8495890469   5.7703125714
H    4.2831902250   1.9636024809   4.3953835442
H   -6.4690586989   0.6236382715  -1.0020459250
H   -6.3513392792  -0.1623997236  -2.5919541092
H   -7.5880754023  -0.6822197919  -1.4329685726
*