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%chk=F:\Gaussian Iuput\Ru1.chk
# opt wb97xd/lanl2mb/fit pop=savemixed geom=connectivity
structure
0 2
C 0.06376226 1.26909171 2.33111318
C 0.74991784 0.13753480 1.86278223
C 1.14354099 -0.86214669 2.76035152
C 0.84551269 -0.73748465 4.12458747
C 0.15732617 0.39152531 4.59174209
C -0.23075671 1.39582612 3.69612222
C 2.58914292 -2.36151132 -0.28301127
C 3.75848102 -3.10519783 -0.47356314
C 4.99863632 -2.45623773 -0.52531254
C 5.06770432 -1.06290132 -0.38366061
C 3.89572245 -0.31856328 -0.19483869
C 2.65679618 -0.96991435 -0.14777370
C 0.01403231 3.79037248 -0.50580828
C -0.10409438 2.25686620 -0.55919152
C -0.87296833 1.81289010 0.71432654
P -1.84083249 0.34156418 0.33277703
C -0.84187691 1.83791259 -1.88819104
P -0.30576725 0.19949967 -2.71292334
C 1.28810333 1.63545082 -0.58474605
P 1.12197475 -0.02519773 0.08683095
Ru -0.62307035 -1.11165691 -0.85152722
H -0.09299627 -2.57486293 -0.98372400
H -2.06606501 -1.29515320 -1.34281912
C -5.45438741 0.59414794 -1.60129849
C -4.42098965 0.17811558 -0.75127617
C -3.20599156 0.87094832 -0.74498879
C -3.02621163 1.98526139 -1.57626971
C -4.05823174 2.40191854 -2.42395723
C -5.27277036 1.70432693 -2.43892575
C -4.22975668 -0.63376245 3.53241028
C -3.49385687 -1.63940059 4.17304536
C -2.25599812 -2.03987647 3.65307147
C -1.75541383 -1.43585508 2.49185567
C -2.49254264 -0.43117120 1.84827026
C -3.72930056 -0.02871776 2.37027333
C 1.49951039 2.33445396 -2.52499385
C 0.87058213 1.41766039 -3.37740752
C 1.14227074 1.43803388 -4.75215934
C 2.03199457 2.38354986 -5.27715254
C 2.65423286 3.30638869 -4.42678823
C 2.39021602 3.27995710 -3.05000472
C 1.95476539 -1.15714688 -1.75103103
C 3.06912091 -1.99811600 -1.88374433
C 3.36260290 -2.58483352 -3.12278444
C 2.53943452 -2.33478067 -4.22778430
C 1.42684907 -1.49506006 -4.09495507
C 1.13679808 -0.90158027 -2.85903837
H -0.23535449 2.03580534 1.64707299
H 1.67118069 -1.72201771 2.40471492
H 1.14238048 -1.50358188 4.80842371
H -0.07177403 0.48487594 5.63304452
H -0.75233891 2.25923897 4.05351113
H 1.64099756 -2.85657360 -0.24188447
H 3.70443162 -4.16881992 -0.57999129
H 5.89308912 -3.02441167 -0.67308675
H 6.01544387 -0.56827304 -0.42016334
H 3.94671883 0.74526959 -0.08730477
H -0.96490909 4.22314696 -0.49840346
H 0.55057660 4.13851799 -1.36348983
H 0.53692161 4.07641010 0.38251967
H -1.59350538 2.54844028 1.00633288
H -0.16051025 1.67807417 1.50034483
H -0.57871221 2.56378186 -2.62726359
H -1.89440515 1.85960281 -1.69570858
H 1.96494012 2.15899923 0.05766867
H 1.66344241 1.66219629 -1.58634702
H -6.38308147 0.06382944 -1.61164335
H -4.55964978 -0.66753418 -0.11032068
H -2.09724706 2.51765734 -1.56299160
H -3.91863385 3.25150590 -3.05939940
H -6.06125185 2.02013064 -3.08893428
H -5.17512642 -0.32749535 3.93014463
H -3.87656897 -2.10168966 5.05948444
H -1.69315020 -2.80750928 4.14241892
H -0.80974003 -1.74274085 2.09570033
H -4.29185701 0.73834747 1.88269942
H 1.29843970 2.31326273 -1.47452619
H 0.66894204 0.73095816 -5.40138110
H 2.23553535 2.40119257 -6.32749103
H 3.33077569 4.03110510 -4.82832234
H 2.86928734 3.98235223 -2.39985553
H 1.73029560 -0.71142171 -0.80471182
H 3.69643616 -2.19267118 -1.03856936
H 4.21482698 -3.22391116 -3.22445958
H 2.76011346 -2.78497188 -5.17358186
H 0.79700570 -1.30627943 -4.93965550
H -0.18496746 -2.55597527 -0.45264158
1 2 1.5 6 1.5 48 1.0
2 3 1.5 20 1.0
3 4 1.5 49 1.0
4 5 1.5 50 1.0
5 6 1.5 51 1.0
6 52 1.0
7 8 1.5 12 1.5 53 1.0
8 9 1.5 54 1.0
9 10 1.5 55 1.0
10 11 1.5 56 1.0
11 12 1.5 57 1.0
12 20 1.0
13 14 1.0 58 1.0 59 1.0 60 1.0
14 15 1.0 17 1.0 19 1.0
15 16 1.0 61 1.0 62 1.0
16 21 1.0 26 1.0 34 1.0
17 18 1.0 63 1.0 64 1.0
18 21 1.0 47 1.0 37 1.0
19 20 1.0 65 1.0 66 1.0
20 21 1.0
21 22 1.0 23 1.0 87 1.0
22 87 1.0
23
24 25 1.5 29 1.5 67 1.0
25 26 1.5 68 1.0
26 27 1.5
27 28 1.5 69 1.0
28 29 1.5 70 1.0
29 71 1.0
30 31 1.5 35 1.5 72 1.0
31 32 1.5 73 1.0
32 33 1.5 74 1.0
33 34 1.5 75 1.0
34 35 1.5
35 76 1.0
36 37 1.5 41 1.5 77 1.0
37 38 1.5
38 39 1.5 78 1.0
39 40 1.5 79 1.0
40 41 1.5 80 1.0
41 81 1.0
42 43 1.5 47 1.5 82 1.0
43 44 1.5 83 1.0
44 45 1.5 84 1.0
45 46 1.5 85 1.0
46 47 1.5 86 1.0
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
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68
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74
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87
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