SYMMETRY UHF PM7 BO2. H=-71.7 HR=HLKS1979 O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 B 1.26058719 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.26058719 +0 179.9518794 +1 0.0000000 +0 2 1 0