%chk=C:\Documents and Settings\gg207\My Documents\Downloads\pop_gab_bh3.chk
# b3lyp/3-21g pop=(nbo,full) geom=connectivity

BH3 optimization

0 1
 B(Iso=11)          0.00000000    0.00000000    0.00000000
 H(Iso=1)           0.00000000    1.50000011    0.00000000
 H(Iso=1)          -1.29903821   -0.75000006    0.00000000
 H(Iso=1)           1.29903821   -0.75000006    0.00000000

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