Electonic coupling of two nonadjacent molecules in a triad

[HoseaWu2022]

Am I able to obtain the transfer integral of two nonadjacent molecules in a triad with CATNIP？
To be more specific, there are two kinds of moleclules in the triad, A and B, and they are arranged as A-B-A. They are connected by weak interaction. Now, I'm trying to obtain the transfer integral of the A molecules. I have evaluated it with energy splitting method. But I'm still worried about the errors it might cause, like the igorance of polarization effect as you mentioned in the tutorial of CATNIP. So, it is possible to use CATNIP to calculate the transfer integral of them?
I failed to upload the gjf file, so I attached it below.
Anticipate for your reply.
%nprocshared=4
%chk=C4_dimer.chk
%mem=1400MB

b3lyp/def-TZVP nosymm pop=full geom=connectivity int=nobasistransform iop(3/33=1) punch=mo

C4_dimer

0 1
N -2.66553763 4.13539560 -2.43502599
C 1.72539471 3.10640052 -4.79574916
C -0.61075947 3.97463959 -5.33919921
C 0.82546164 4.33576062 -4.96958018
C -1.49297254 5.19427468 -5.56894125
H 0.81713264 3.68457656 -2.26102697
H 2.75055879 3.45120955 -4.57362715
H 1.78719471 2.55994548 -5.74850024
H -0.58979847 3.35953054 -6.25086530
H -1.04460050 3.34463454 -4.54988715
H -1.14148351 5.77144674 -6.43548931
H -2.53695362 4.90672966 -5.75900224
H -1.48546054 5.86258075 -4.69741216
H 0.83725564 4.95284967 -4.05750011
H 1.25441667 4.96155666 -5.76465925
C -2.68511163 2.97292351 -2.30302798
C 1.30637667 2.14634845 -3.71095908
C -2.68521563 1.55428140 -2.28313798
C 0.87448264 2.61487348 -2.46089899
C 1.36246168 0.74891234 -3.93738910
C -2.30392760 0.99368936 -3.52982507
C -3.05716166 0.79011234 -1.16626589
C 0.51638961 1.69720441 -1.47564291
H 1.69545870 0.39544731 -4.91261818
C 1.01807065 -0.17494173 -2.96496303
N -1.99659058 0.62875033 -4.59772415
C -3.49610269 1.37993939 0.06258020
C -3.02771866 -0.64281577 -1.15652889
C 0.58450762 0.28522331 -1.70518193
S -0.04209143 2.09835745 0.13717221
H 1.08659566 -1.24548481 -3.15870904
C -3.85784887 0.64281577 1.15652889
F -3.57243470 2.71972649 0.14413221
F -2.60995362 -1.29645881 -2.25553097
C -3.38946483 -1.37993939 -0.06258020
C 0.17936459 -0.41814375 -0.53567584
C -0.17936459 0.41814375 0.53567584
C -3.82840587 -0.79011234 1.16626589
F -4.27561390 1.29645881 2.25553097
F -3.31313283 -2.71972649 -0.14413221
S 0.04209143 -2.09835745 -0.13717221
C -0.58450762 -0.28522331 1.70518193
C -4.20035190 -1.55428140 2.28313798
C -0.51638961 -1.69720441 1.47564291
C -1.01807065 0.17494173 2.96496303
C -4.20045590 -2.97292351 2.30302798
C -4.58163992 -0.99368936 3.52982507
C -0.87448264 -2.61487348 2.46089899
C -1.36246168 -0.74891234 3.93738910
H -1.08659566 1.24548481 3.15870904
N -4.22002990 -4.13539560 2.43502599
N -4.88897694 -0.62875033 4.59772415
C -1.30637667 -2.14634845 3.71095908
H -0.81713264 -3.68457656 2.26102697
H -1.69545870 -0.39544731 4.91261818
C -1.72539471 -3.10640052 4.79574916
H -2.75055879 -3.45120955 4.57362715
H -1.78719471 -2.55994548 5.74850024
C -0.82546164 -4.33576062 4.96958018
H -0.83725564 -4.95284967 4.05750011
H -1.25441667 -4.96155666 5.76465925
C 0.61075947 -3.97463959 5.33919921
H 0.58979847 -3.35953054 6.25086530
C 1.49297254 -5.19427468 5.56894125
H 1.04460050 -3.34463454 4.54988715
H 1.14148351 -5.77144674 6.43548931
H 2.53695362 -4.90672966 5.75900224
H 1.48546054 -5.86258075 4.69741216

1 16 3.0
2 4 1.0 7 1.0 8 1.0 17 1.0
3 4 1.0 5 1.0 9 1.0 10 1.0
4 14 1.0 15 1.0
5 11 1.0 12 1.0 13 1.0
6 19 1.0
7
8
9
10
11
12
13
14
15
16 18 1.5
17 19 1.5 20 1.5
18 21 1.5 22 1.5
19 23 1.5
20 24 1.0 25 1.5
21 26 3.0
22 27 1.0 28 1.0
23 29 1.0 30 1.0
24
25 29 1.5 31 1.0
26
27 32 2.0 33 1.0
28 34 1.0 35 2.0
29 36 1.5
30 37 1.0
31
32 38 1.0 39 1.0
33
34
35 38 1.0 40 1.0
36 37 1.5 41 1.0
37 42 1.5
38 43 1.5
39
40
41 44 1.0
42 44 1.0 45 1.5
43 46 1.5 47 1.5
44 48 1.5
45 49 1.5 50 1.0
46 51 3.0
47 52 3.0
48 53 1.5 54 1.0
49 53 1.5 55 1.0
50
51
52
53 56 1.0
54
55
56 57 1.0 58 1.0 59 1.0
57
58
59 60 1.0 61 1.0 62 1.0
60
61
62 63 1.0 64 1.0 65 1.0
63
64 66 1.0 67 1.0 68 1.0
65
66
67
68