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PM7 Trifluoromethylisocyanide H=-99.7 HR=NIST C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 N 1.40277866 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.33120724 +1 112.7948439 +1 0.0000000 +0 1 2 0 F 1.33119691 +1 112.7883576 +1 -120.0231747 +1 1 2 3 F 1.33120933 +1 112.7723829 +1 119.9878180 +1 1 2 3 C 1.19206801 +1 179.9990155 +1 -10.8576009 +1 2 1 3