! 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
F   -3.8722935597  -2.0438865164   1.3673077307
F   -2.4651076992  -2.1789776944  -0.2468021017
F   -1.8927924999  -1.2466185093   1.6065672948
O    4.2199651743   0.7013535890   0.5468206977
O   -0.4415688115   1.5782648446   0.9971010471
N   -0.3476044113   0.0445876083  -0.6872989817
C    5.6290411764   0.4667569928   0.4219605211
C   -2.4684538449   0.9767997313  -0.0632541042
C    1.0080329817  -0.3153429911  -0.7198733732
C    3.3356992305  -0.0419326183  -0.1514653159
C   -3.3715411263  -0.0522629701   0.2157337695
C    2.0079276158   0.3848036353  -0.0588627803
C   -0.9845747600   0.8851771325   0.1547734679
C    6.1537887936   1.0032023390  -0.8977586369
C    6.2773939386   1.1520805576   1.6067724136
C    1.3331483819  -1.4367871175  -1.4876066984
C    3.6637953706  -1.1620271385  -0.9087483873
C   -2.9501844080   2.2012590358  -0.5109373747
C   -4.7318222501   0.1480561501   0.0134462347
C    2.6496848974  -1.8428155640  -1.5708719201
C   -2.9030936870  -1.3783705409   0.7371520316
C   -4.3068099215   2.3940804241  -0.7172826341
C   -5.1974532924   1.3651828241  -0.4579824198
H    5.8268048453  -0.6076166894   0.4939674460
H    1.7899923229   1.2638658929   0.5263640537
H   -0.9224367807  -0.4265118083  -1.3702613834
H    5.9914277341   2.0798238170  -0.9707433205
H    7.2261500396   0.8201668713  -0.9685482936
H    5.6863155646   0.5298851355  -1.7614069837
H    5.9062750617   0.7543706881   2.5515200189
H    6.1015546734   2.2289046157   1.5894972006
H    7.3544231829   0.9893023007   1.5792030878
H    0.5592932951  -1.9866950350  -2.0082123035
H    4.6800411611  -1.5178212960  -0.9982036409
H   -2.2571229675   3.0075395683  -0.7117878632
H   -5.4435243806  -0.6364041744   0.2289007995
H    2.9000012951  -2.7127731268  -2.1629693776
H   -4.6647764620   3.3496515207  -1.0749564059
H   -6.2581138618   1.5075841880  -0.6111460827
*