%chk=PNb12_TZ_opt.chk
%mem=20GB
%nprocshared=28
#p opt=(tight) freq=noraman scrf=pcm nosymm geom=connectivity bp86 def2tzvp

geometry connectivity

-15 1
 Nb                -1.79940600   -0.95947300    3.06769700
 Nb                 1.84814000   -3.29528600    0.02720500
 Nb                 1.88981200    1.11205300   -3.01357600
 Nb                -1.94820900    3.18921600   -0.03861700
 Nb                 1.83960200   -1.14704900    3.12128800
 Nb                 1.88121900    3.22940900   -0.06541200
 Nb                -1.95680500    1.08525800   -2.98677900
 Nb                -1.78115200   -3.22829500   -0.10677700
 Nb                 0.03349300   -2.21719900   -3.02336400
 Nb                -3.77225500    0.02690700   -0.01860600
 Nb                 0.04689300    2.08262800    3.07088900
 Nb                 3.71866500    0.08049800   -0.04540500
 O                 -0.06699400    0.07596600    1.57079700
 O                  0.04019400   -1.44897400   -0.48038800
 O                  1.26452400    0.78431800   -0.50706700
 O                 -1.27792100    0.74412400   -0.56066300
 O                 -3.26350100   -1.83661200   -0.36960100
 O                  3.14944600   -0.40801100    1.85739300
 O                 -1.33382100   -0.76480900   -3.41981100
 O                  1.36515100    2.93287700    1.84309300
 O                  3.20990500   -1.90360500   -0.27581200
 O                 -1.29815500    2.93288300    1.82969500
 O                  1.36061600   -0.79160800   -3.40641200
 O                 -3.31022300   -0.27402300    1.88418800
 O                  0.00670000    1.52108500   -3.35539100
 O                 -1.77881900   -2.32271900    1.62394200
 O                  0.01340100    3.77079800   -0.34243100
 O                  1.91279800   -2.93904300    2.07948600
 O                  1.39348600    0.75691500    3.73450800
 O                 -1.42586400   -3.24671100   -2.05201700
 O                  3.52841200    2.01250000    0.28699500
 O                 -3.55979000    0.46730300   -2.01151900
 O                 -1.42028300    0.85070600    3.76130400
 O                  3.51959500    0.38690800   -1.99812200
 O                 -3.52840800    2.03930200    0.27359700
 O                  1.34546800   -3.26011300   -1.97162900
 O                 -0.00000300   -4.07509300    0.25455100
 O                 -2.11791200    2.85512500   -2.01094700
 O                  0.00669800   -1.59773600    3.73743600
 O                  2.17151100    2.82832300   -2.01094600
 O                 -2.81531900   -1.70412000    4.39880600
 O                  2.85540600   -4.81390000   -0.01113800
 O                  2.67895700    1.56594800   -4.59181700
 O                 -2.72287100    4.83434100    0.07786500
 O                  2.86891200   -1.62373200    4.54618600
 O                  2.70947900    4.84773600    0.05107200
 O                 -2.70575200    1.56595100   -4.57841800
 O                 -2.84201500   -4.70671200    0.13624200
 O                  0.03349300   -3.13785300   -4.59441900
 O                 -5.58919700   -0.10780000    0.05266600
 O                  0.06029300    3.27966600    4.44718800
 O                  5.52220800   -0.08101000    0.10625500
 P                 -0.01339900    0.03273200    0.00663900

 1 24 1.0 26 1.0 33 1.0 39 1.0 41 1.0 13 1.0
 2 21 1.0 28 1.0 36 1.0 37 1.0 42 1.0 14 1.0
 3 23 1.0 25 1.0 34 1.0 40 1.0 43 1.0 15 1.0
 4 22 1.0 27 1.0 35 1.0 38 1.0 44 1.0 16 1.0
 5 18 1.0 28 1.0 29 1.0 39 1.0 45 1.0 13 1.0
 6 20 1.0 27 1.0 31 1.0 40 1.0 46 1.0 15 1.0
 7 19 1.0 25 1.0 32 1.0 38 1.0 47 1.0 16 1.0
 8 17 1.0 26 1.0 30 1.0 37 1.0 48 1.0 14 1.0
 9 19 1.0 23 1.0 30 1.0 36 1.0 49 1.0 14 1.0
 10 17 1.0 24 1.0 32 1.0 35 1.0 50 1.0 16 1.0
 11 20 1.0 22 1.0 29 1.0 33 1.0 51 1.0 13 1.0
 12 18 1.0 21 1.0 31 1.0 34 1.0 52 1.0 15 1.0
 13 53 1.5
 14 53 1.5
 15 53 1.5
 16 53 1.5
 17
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 21
 22
 23
 24
 25
 26
 27
 28
 29
 30
 31
 32
 33
 34
 35
 36
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 38
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 44
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 53

