In　this　paper,　a　comprehensive　evaluation　method　on　the　insulation　performance　and　greenhouse　effect　of　environmentally-friendly　gas　was　studied.　Firstly,　considering　that　the　gas　greenhouse　effect　is　determined　by　its　atmospheric　lifetime　and　infrared　characteristics,　and　can　be　assessed　by　the　global　warming　potential　(GWP),　this　work　establishes　a　regression　prediction　method　for　atmospheric　lifetime　based　on　the　highest　occupied　orbital　energy,　combined　with　molecular　infrared　spectroscopy　theory.　The　model　realizes　GWP　calculation　of　any　gas,　and　the　maximum　error　less　than　19%.　Secondly,　this　work　starts　from　the　collision　phenomenon　and　establishes　a　theoretical　evaluation　method.　Under　the　classical　collision　theory,　the　collision　is　reduced　to　potential　scattering,　and　the　molecular　electrostatic　potential　is　calculated.　It　is　found　that　there　is　a　strong　correlation　between　positive　potential　surface　area　of　small　molecules　and　insulation,　which　can　be　used　for　quantitative　analysis.　Besides,　the　collision　model　considering　the　quantum　effect　is　studied,　and　finding　that　the　low-energy　resonance　phenomenon　can　be　used　for　qualitative　analysis,　for　the　results　calculated　by　R　matrix　method　of　15　gases　show　that　only　strong　insulation　gases　such　as　SF6　can　exhibit　low-energy　resonance.　©　2022　IEEE.