! 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    0.2988372081  -3.8846552915   0.3475087915
O    2.3643500755   0.0035838830   2.1161984823
O   -0.3619002103  -0.3287612422   0.8382803507
O   -0.7029245268  -1.9236453133   2.3856826456
O   -0.7970370302  -0.9912210243  -2.9988118332
O    3.4349029275   4.3376054818   2.7585769851
O   -3.9254976501  -3.9621276250  -1.2765307562
O    4.0484884975   2.3859851399  -1.4075514335
N   -1.7349645885  -0.1348185429   0.8335824041
N   -0.2003858609  -2.4609526444  -1.3573706530
N    2.8900271381   2.1364485269   2.4417509477
N   -1.7875530665  -3.9587077367  -0.4553057755
N    3.1947188643   1.1482951124   0.3170237005
C    1.3400442332  -1.8926400408   1.1823441102
C   -2.0715832227   0.9068361887   0.1776183768
C   -1.1438878078   1.9266715061  -0.3539849118
C   -3.5206474822   1.0741537505  -0.0429431055
C    1.4397759723  -3.1479126852   0.5833720150
C    2.4993667247  -1.1859958621   1.4426856465
C    2.6649250930  -3.6836163438   0.2521857977
C    3.7447199397  -1.7157699696   1.1414211305
C    3.8160417029  -2.9627353252   0.5475934437
C   -0.0077265784  -1.3924659380   1.5667939619
C   -1.1033689327   2.1774982677  -1.7215661991
C   -4.3669903794  -0.0363733122  -0.0897832528
C   -0.3503860025   2.6734767331   0.5125201937
C   -4.0610777053   2.3488657411  -0.2086133177
C   -0.2418181526   3.1410000790  -2.2245620632
C   -5.7266177481   0.1294925532  -0.2908973246
C    0.4758261229   3.6651310183   0.0085816085
C   -5.4248425611   2.5113336427  -0.4022623695
C    0.5468234621   3.8872704250  -1.3603228295
C   -6.2596491518   1.4037148886  -0.4455175546
C   -0.6013325089  -3.4002839538  -0.5383596885
C    2.8440924595   1.1452097300   1.5783227722
C   -1.1274747477  -1.9670682372  -2.1693122213
C    3.3706895771   3.2778359970   1.9656210344
C   -2.6974904592  -3.4702850257  -1.2918381649
C    3.6759814803   2.2981783897  -0.1397185534
C   -2.4296619894  -2.4408768770  -2.1863509607
C    3.8125983612   3.4236810362   0.6579154800
C    0.5332963631  -0.4760988670  -2.9412005672
C    2.9734572574   4.2242737393   4.1032416372
C   -4.2429567731  -5.0112185330  -0.3641070387
C    3.9222974392   1.2369747355  -2.2403434159
H    2.7224822440  -4.6539045622  -0.2218627904
H    4.6458790514  -1.1679411367   1.3795113048
H    4.7826577109  -3.3823812549   0.3061096923
H   -1.7364139051   1.6146223846  -2.3954906949
H   -3.9564907309  -1.0313017994   0.0152807558
H   -0.4002838800   2.5017120312   1.5798979363
H   -3.4210329900   3.2206853048  -0.1744299152
H   -0.1980681884   3.3164136810  -3.2912084540
H   -6.3717196829  -0.7378113301  -0.3351690074
H    1.0587065370   4.2743410880   0.6848868920
H   -5.8338858901   3.5056183123  -0.5208220755
H    1.2052327979   4.6518731482  -1.7506368174
H   -7.3221684730   1.5309724470  -0.6049038636
H   -3.1857709552  -2.0357024336  -2.8426549329
H    4.2026737441   4.3575192517   0.2804990622
H    0.5622263289   0.3420770957  -3.6554168627
H    1.2646883880  -1.2301367127  -3.2319311620
H    0.7719330600  -0.1053412411  -1.9454125051
H    3.5547457534   3.4978294273   4.6699997928
H    1.9184702516   3.9555495533   4.1470057078
H    3.1082177682   5.2089014449   4.5422374778
H   -3.6415785637  -5.9008837286  -0.5470771504
H   -5.2888082450  -5.2454506485  -0.5420210017
H   -4.1183383290  -4.6965220753   0.6713913649
H    4.3063033665   1.5339312762  -3.2122185187
H    2.8815807612   0.9317211916  -2.3450086814
H    4.5032682456   0.3961640865  -1.8635398592
*