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	hartrees
Energy at 0K	-381.152755
Energy at 298.15K	-381.155874
HF Energy	-381.152755
Nuclear repulsion energy	48.419238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3116	1.55
2	A'	3165	3028	5.22
3	A'	2370	2267	138.94
4	A'	1480	1416	0.76
5	A'	1049	1004	37.75
6	A'	1015	971	0.56
7	A'	756	724	0.18
8	A"	925	885	52.62
9	A"	866	829	31.75

Atom	x (Å)	y (Å)
C1	0.056	1.073
P2	0.056	-0.598
H3	-0.829	1.705
H4	1.006	1.605
H5	-1.362	-0.784

	C1	P2	H3	H4	H5
C1		1.6711	1.0877	1.0888	2.3373
P2	1.6711		2.4671	2.3991	1.4311
H3	1.0877	2.4671		1.8382	2.5456
H4	1.0888	2.3991	1.8382		3.3646
H5	2.3373	1.4311	2.5456	3.3646

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.479		P2	C1	H3	125.506
P2	C1	H4	119.244		H3	C1	H4	115.251

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3PW91/6-31G*

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	-0.520
2	P	0.124
3	H	0.208
4	H	0.205
5	H	-0.017

	x	y	z	Total
	-0.579	1.085	0.000	1.229
CHELPG
AIM
ESP

	x	y	z
x	4.348	0.356	0.000
y	0.356	6.576	0.002
z	0.000	0.002	2.895

<r²>	34.480
(<r²>)^1/2	5.872

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)