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Molecules_Data.json
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{"H2": {"Name": "H2", "Molecules": ["H1", "H2"], "Internal": [["0.0000", "0.0000", "0.3714"], ["0.0000", "0.0000", "-0.3714"]]}, "LiH": {"Name": "LiH", "Molecules": ["Li1", "H2"], "Internal": [["0.0000", "0.0000", "0.4054"], ["0.0000", "0.0000", "-1.2161"]]}, "BeH2": {"Name": "BeH2", "Molecules": ["Be1", "H2", "H3"], "Internal": [["0.0000", "0.0000", "0.0000"], ["0.0000", "0.0000", "1.3300"], ["0.0000", "0.0000", "-1.3300"]]}, "B2H6": {"Name": "B2H6", "Molecules": ["B1", "B2", "H3", "H4", "H5", "H6", "H7", "H8"], "Internal": [["0.8843", "0.0000", "0.0000"], ["-0.8843", "0.0000", "0.0000"], ["0.0000", "0.0000", "0.9759"], ["0.0000", "0.0000", "-0.9759"], ["1.4627", "1.0408", "0.0000"], ["1.4627", "-1.0408", "0.0000"], ["-1.4627", "1.0408", "0.0000"], ["-1.4627", "-1.0408", "0.0000"]], "Principal": [["0.8843", "0.0000", "0.0000"], ["-0.8843", "0.0000", "0.0000"], ["0.0000", "0.0000", "0.9759"], ["0.0000", "0.0000", "-0.9759"], ["1.4627", "1.0408", "0.0000"], ["1.4627", "-1.0408", "0.0000"], ["-1.4627", "1.0408", "0.0000"], ["-1.4627", "-1.0408", "0.0000"]]}, "CH4": {"Name": "CH4", "Molecules": ["C1", "H2", "H3", "H4", "H5"], "Internal": [["0.0000", "0.0000", "0.0000"], ["0.6312", "0.6312", "0.6312"], ["-0.6312", "-0.6312", "0.6312"], ["-0.6312", "0.6312", "-0.6312"], ["0.6312", "-0.6312", "-0.6312"]], "Principal": [["0.0000", "0.0000", "0.0000"], ["0.9197", "0.5526", "-0.2095"], ["-0.2596", "0.1116", "1.0561"], ["-0.8109", "0.3942", "-0.6183"], ["0.1508", "-1.0585", "-0.2283"]]}, "NH3": {"Name": "NH3", "Molecules": ["N1", "H2", "H3", "H4"], "Internal": [["0.0000", "0.0000", "0.1193"], ["0.0000", "0.9386", "-0.2785"], ["0.8129", "-0.4693", "-0.2785"], ["-0.8129", "-0.4693", "-0.2785"]], "Principal": [["0.0000", "0.0000", "0.1193"], ["0.8395", "0.4198", "-0.2785"], ["-0.7833", "0.5172", "-0.2785"], ["-0.0562", "-0.9369", "-0.2785"]]}, "H2O": {"Name": "H2O", "Molecules": ["O1", "H2", "H3"], "Internal": [["0.0000", "0.0000", "0.1197"], ["0.0000", "0.7616", 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"F3", "F4"], "Internal": [["0.0000", "0.0000", "0.0000"], ["0.0000", "1.3177", "0.0000"], ["1.1412", "-0.6589", "0.0000"], ["-1.1412", "-0.6589", "0.0000"]], "Principal": [["0.0000", "0.0000", "0.0000"], ["1.2937", "-0.2506", "0.0000"], ["-0.4299", "1.2457", "0.0000"], ["-0.8639", "-0.9951", "0.0000"]]}, "CO2": {"Name": "CO2", "Molecules": ["C1", "O2", "O3"], "Internal": [["0.0000", "0.0000", "0.0000"], ["0.0000", "0.0000", "1.1692"], ["0.0000", "0.0000", "-1.1692"]]}, "CF4": {"Name": "CF4", "Molecules": ["C1", "F2", "F3", "F4", "F5"], "Internal": [["0.0000", "0.0000", "0.0000"], ["0.7675", "0.7675", "0.7675"], ["-0.7675", "-0.7675", "0.7675"], ["-0.7675", "0.7675", "-0.7675"], ["0.7675", "-0.7675", "-0.7675"]], "Principal": [["0.0000", "0.0000", "0.0000"], ["0.7675", "0.6834", "0.8433"], ["0.7675", "-0.6834", "-0.8433"], ["-0.7675", "0.8433", "-0.6834"], ["-0.7675", "-0.8433", "0.6834"]]}, "CS2": {"Name": "CS2", "Molecules": ["C1", "S2", "S3"], "Internal": [["0.0000", "0.0000", 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