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PM7 Nitromethane HR=C&P1970 H=-17.9 I=11.3 IR=LLNBS82 S=67.61 CP=13.26 C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 N 1.47807518 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.21680308 +1 117.6808537 +1 0.0000000 +0 2 1 0 O 1.21644277 +1 117.7539565 +1 179.8041195 +1 2 1 3 H 1.10421789 +1 110.9366661 +1 167.5684877 +1 1 2 3 H 1.10433057 +1 110.5088130 +1 46.3969218 +1 1 2 3 H 1.10499599 +1 109.9434937 +1 -72.4143427 +1 1 2 3