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	hartrees
Energy at 0K	-380.782528
Energy at 298.15K	-380.785755
HF Energy	-380.341644
Nuclear repulsion energy	48.779577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3270	0.05
2	A'	3187	3187	1.64
3	A'	2437	2437	75.00
4	A'	1465	1465	2.94
5	A'	1044	1044	23.55
6	A'	1011	1011	4.46
7	A'	750	750	1.04
8	A"	928	928	32.64
9	A"	869	869	35.55

Atom	x (Å)	y (Å)
C1	0.056	1.069
P2	0.056	-0.594
H3	-0.831	1.679
H4	1.000	1.591
H5	-1.344	-0.768

	C1	P2	H3	H4	H5
C1		1.6629	1.0767	1.0787	2.3093
P2	1.6629		2.4403	2.3804	1.4111
H3	1.0767	2.4403		1.8328	2.5000
H4	1.0787	2.3804	1.8328		3.3254
H5	2.3093	1.4111	2.5000	3.3254

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.058		P2	C1	H3	124.539
P2	C1	H4	118.970		H3	C1	H4	116.491

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: MP2=FULL/aug-cc-pV(T+d)Z

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: MP2=FULL/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)