%chk=AlNb12_TZ_opt.chk
%mem=20GB
%nprocshared=24
#p opt=tight freq=noraman scrf=pcm nosymm geom=connectivity bp86 def2tzvp

geometry connectivity

-17 1
 Nb                -1.70631900   -0.97089400    3.04944300
 Nb                 1.72925700   -3.21956300   -0.07906500
 Nb                 1.90489200    1.13600400   -2.87140000
 Nb                -1.94969600    3.06963500   -0.08552800
 Nb                 1.70632100   -0.98349400    3.03684400
 Nb                 1.89929800    3.08223300   -0.07292900
 Nb                -1.93009400    1.08560600   -2.87139900
 Nb                -1.69145800   -3.19436700   -0.07906600
 Nb                 0.06929700   -2.22617800   -2.87067000
 Nb                -3.63838600    0.10129000   -0.08912900
 Nb                -0.00629800    1.98099600    3.06668100
 Nb                 3.63838800    0.13908900   -0.12693000
 O                 -0.00629900    0.00304400    1.80740600
 O                  0.07559700   -1.70901900   -0.58295800
 O                  1.46947300    0.86515000   -0.61361700
 O                 -1.48207300    0.83995100   -0.60101700
 O                 -3.06795600   -1.70138600   -0.39005600
 O                  2.98167800   -0.23290600    1.71364200
 O                 -1.25541300   -0.71062400   -3.14760400
 O                  1.36122300    2.69436300    1.79494600
 O                  2.99235400   -1.80218400   -0.49085400
 O                 -1.34861800    2.70696700    1.79494700
 O                  1.44440300   -0.83662000   -3.05940500
 O                 -3.01947500   -0.15730300    1.80184000
 O                  0.03779900    1.56229500   -3.16480900
 O                 -1.69085900   -2.50359900    1.78711900
 O                  0.00630200    3.47387500   -0.41808500
 O                  1.65305700   -2.57920100    1.79972000
 O                  1.42928300    0.81892900    3.90712100
 O                 -1.57277200   -3.07601400   -2.10337800
 O                  3.68173200    2.09379000    0.25550200
 O                 -3.68548100    0.49649700   -2.09468800
 O                 -1.40408000    0.83153100    3.95752000
 O                  3.69807900    0.48389100   -2.08208900
 O                 -3.68172900    2.14419300    0.23030300
 O                  1.25777500   -3.78159300   -2.06558100
 O                 -0.06300000   -4.25034000    0.22984100
 O                 -2.22613900    2.94731600   -2.07737100
 O                  0.00629900   -1.63676500    3.92325800
 O                  2.28914100    2.94731400   -2.07737100
 O                 -2.88769600   -1.64886900    4.31851600
 O                  2.88016800   -4.65526800    0.20051800
 O                  2.55972100    1.45344500   -4.58239300
 O                 -2.56779100    4.81532200    0.14930700
 O                  2.92549300   -1.61107500    4.29331700
 O                  2.56779700    4.80271900    0.14930700
 O                 -2.55972300    1.46604700   -4.58239200
 O                 -2.89277100   -4.61746900    0.07452600
 O                  0.02519800   -2.92496000   -4.60209900
 O                 -5.47593100   -0.15723900    0.11215300
 O                  0.01260400    3.35188800    4.32805400
 O                  5.45073200   -0.20764300    0.09955100
 Al                 0.01260000    0.00118600    0.00039800

 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 1.0
 14 53 1.0
 15 53 1.0
 16 53 1.0
 17
 18
 19
 20
 21
 22
 23
 24
 25
 26
 27
 28
 29
 30
 31
 32
 33
 34
 35
 36
 37
 38
 39
 40
 41
 42
 43
 44
 45
 46
 47
 48
 49
 50
 51
 52
 53


