! 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   -4.7726237795   0.6228981782   2.6352270890
O   -1.2698258175   0.8383161787   1.9144960735
O   -1.6772035099  -0.5628400343  -0.3476104945
O   -2.2402407020   1.5558649020  -0.8129457028
O   -0.0807903637  -0.9551939767   2.5516922421
O   -5.5043899351   2.7351642529   2.7900094375
O    3.0095168706   1.4727056062   0.1912881926
O    5.6998551958   1.1076803308  -0.1136514734
O    7.7156167288  -0.6117362164   0.1108164823
O    4.9503823583   1.1150355865  -2.3233186149
O    5.7382797039  -0.9274394222  -2.8027165877
N    1.7848778421  -0.3916088518   0.5690837011
N    3.8758138515  -1.9205150471   0.7061467471
C   -3.7222247448   0.2144721714   0.5334439853
C   -3.6183069362   0.9668202319   1.8755744306
C   -2.4155166427   0.5517332549   2.7350724514
C   -4.9696605516   0.6239956063  -0.2624461848
C   -2.4830088895   0.5015841791  -0.2866560019
C   -2.3162880757   1.3202748000   4.0339065757
C   -5.0648846533  -0.1489598775  -1.5499828346
C    0.4919045139   0.2155792204   0.5154201324
C   -0.3076928811  -0.3690429461  -0.6838816845
C   -0.2884723737  -0.0491677937   1.7917118060
C   -5.6451255149   1.5620001865   3.0230880538
C   -6.8107608800   0.9448503875   3.7533027592
C   -5.4614947197  -1.4854116980  -1.5329819934
C   -4.7211177839   0.4292519909  -2.7685570292
C   -5.5115827834  -2.2271156655  -2.7037662310
C   -4.7713824514  -0.3103898763  -3.9436559217
C   -7.6723646018   0.1542361573   2.7625376592
C   -7.6286191093   1.9986509605   4.4809490163
C   -5.1640938343  -1.6408010999  -3.9145973206
C    2.9398555758   0.2674655220   0.3708645144
C    4.1395337212  -0.6434564115   0.4110289037
C    5.4287532600  -0.1909018867   0.1852640768
C    6.4956426437  -1.1038406713   0.3027837945
C    4.8752270362  -2.7729279619   0.7928324886
C    6.2041681201  -2.4216967327   0.6114250511
C    6.0250404284   1.3967303624  -1.4502038166
C    3.7505185696  -0.1364666005  -3.9212652439
C    4.9221107848  -0.0593577507  -2.9759233277
C    3.8627406523  -1.3432830020  -4.8381797786
C    2.4375735015  -0.1558257230  -3.1317133417
C    8.8239313590  -1.4955073366   0.2137451708
H   -3.7665344578  -0.8577360373   0.7445222710
H   -3.5831535107   2.0442173034   1.6911732362
H   -2.4656276903  -0.5222018470   2.9335797487
H   -4.9524548292   1.6975571645  -0.4587083950
H   -5.8578198971   0.4243186877   0.3390085942
H   -3.1543122532   1.0846901803   4.6881277519
H   -2.3018836027   2.3971118654   3.8629113740
H   -1.4082559625   1.0429576064   4.5686700092
H    0.6128594281   1.2918221471   0.3936505442
H   -0.1894085067   0.2589667385  -1.5664538961
H    0.0661223034  -1.3652617576  -0.9085108681
H   -6.4028593982   0.2389373028   4.4827324242
H   -5.7375007043  -1.9516519062  -0.5938237395
H   -4.4159725593   1.4678073774  -2.8019493046
H    1.8477527267  -1.3922918975   0.7039167074
H   -5.8239712966  -3.2627988864  -2.6714702655
H   -4.5034514109   0.1557998789  -4.8828366708
H   -8.5201689779  -0.2848587569   3.2879155426
H   -7.1228259915  -0.6610954460   2.2934635984
H   -8.0678015634   0.8015790691   1.9781453043
H   -8.4201736345   1.5148096324   5.0528320071
H   -8.1013271488   2.6940661791   3.7868885571
H   -7.0243942545   2.5749063086   5.1812648191
H   -5.2018793996  -2.2178278626  -4.8291657698
H    4.6216931512  -3.7993057720   1.0265759343
H    6.9713930908  -3.1755154767   0.7139824984
H    6.1754424374   2.4713094164  -1.4886991506
H    6.9299964155   0.8838660636  -1.7756307015
H    3.7661955019   0.7758173408  -4.5251508541
H    3.7998266666  -2.2799200892  -4.2833562766
H    4.7947660390  -1.3445512515  -5.4028193593
H    3.0448859451  -1.3316320592  -5.5582217240
H    1.5998967873  -0.2429575882  -3.8233490228
H    2.2932544214   0.7545337651  -2.5521924441
H    2.3969100797  -1.0132225127  -2.4574941751
H    8.8974070383  -1.9307434639   1.2118398618
H    8.7702449450  -2.2941444709  -0.5281641177
H    9.7094102671  -0.8959747187   0.0235087213
*