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	hartrees
Energy at 0K	-380.023545
Energy at 298.15K	-380.026620
HF Energy	-380.023545
Nuclear repulsion energy	48.331800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3126	0.18
2	A'	3090	3032	1.54
3	A'	2285	2242	112.76
4	A'	1412	1386	1.66
5	A'	1011	992	23.97
6	A'	997	978	12.98
7	A'	727	713	0.10
8	A"	885	869	43.58
9	A"	834	818	42.11

Atom	x (Å)	y (Å)
C1	0.057	1.072
P2	0.057	-0.598
H3	-0.833	1.712
H4	1.018	1.601
H5	-1.377	-0.772

	C1	P2	H3	H4	H5
C1		1.6698	1.0960	1.0973	2.3359
P2	1.6698		2.4753	2.4000	1.4443
H3	1.0960	2.4753		1.8543	2.5430
H4	1.0973	2.4000	1.8543		3.3718
H5	2.3359	1.4443	2.5430	3.3718

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	96.931		P2	C1	H3	125.727
P2	C1	H4	118.841		H3	C1	H4	115.432

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: LSDA/6-31G*

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	-0.505
2	P	0.079
3	H	0.209
4	H	0.208
5	H	0.010

	x	y	z	Total
	-0.606	1.091	0.000	1.248
CHELPG
AIM
ESP

	x	y	z
x	4.471	0.312	0.000
y	0.312	6.536	0.000
z	0.000	0.000	2.886

<r²>	34.531
(<r²>)^1/2	5.876

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)