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PM7 Lithium acetylide D=6.08 DR=AKF1993 H=64.9 HR=JANAF86 Li 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.89898176 +1 0.0000000 +0 0.0000000 +0 0 0 0 C 1.20806406 +1 180.0000000 +0 0.0000000 +0 2 1 0 H 1.02290216 +1 180.0000000 +0 0.0000000 +0 3 2 1