SYMMETRY UHF PM7 BO2. GR=HLKS1979 <B-O> O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 B 1.26300000 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.26300000 +0 179.9458112 +1 180.0000000 +0 2 1 0