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SYMMETRY PM7 Trifluoroacetonitrile D=1.26 H=-118.4 HR=JANAF86 DR=FCWK1974 S=71.24 CP=18.62 C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.46923532 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.33106619 +1 113.0819303 +1 0.0000000 +0 2 1 0 F 1.33106619 +0 113.0819303 +0 120.0000000 +0 2 1 3 F 1.33106619 +0 113.0819303 +0 -120.0000000 +0 2 1 3 N 1.15230674 +1 180.0000000 +0 0.0000000 +0 1 2 3