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	hartrees
Energy at 0K	-381.253905
Energy at 298.15K	-381.257033
HF Energy	-381.253905
Nuclear repulsion energy	48.783891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3108	0.42
2	A'	3152	3019	4.16
3	A'	2360	2261	87.90
4	A'	1452	1390	2.74
5	A'	1039	996	19.36
6	A'	1025	982	5.81
7	A'	745	714	0.35
8	A"	922	883	43.54
9	A"	869	832	25.40

Atom	x (Å)	y (Å)
C1	0.056	1.064
P2	0.056	-0.592
H3	-0.829	1.687
H4	1.002	1.594
H5	-1.356	-0.781

	C1	P2	H3	H4	H5
C1		1.6567	1.0819	1.0838	2.3241
P2	1.6567		2.4449	2.3817	1.4251
H3	1.0819	2.4449		1.8331	2.5237
H4	1.0838	2.3817	1.8331		3.3468
H5	2.3241	1.4251	2.5237	3.3468

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.615		P2	C1	H3	125.122
P2	C1	H4	119.226		H3	C1	H4	115.652

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: mPW1PW91/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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Number	Element	Mulliken
1	C	-0.322
2	P	0.070
3	H	0.131
4	H	0.123
5	H	-0.002

	x	y	z	Total
	-0.481	0.804	0.000	0.937
CHELPG
AIM
ESP

	x	y	z
x	5.074	0.306	0.000
y	0.306	7.271	0.000
z	0.000	0.000	3.599

<r²>	34.234
(<r²>)^1/2	5.851

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: mPW1PW91/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)