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	hartrees
Energy at 0K	-376.821281
Energy at 298.15K	-376.824419
HF Energy	-376.821281
Nuclear repulsion energy	48.771834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3539	3132	0.66
2	A'	3390	3000	7.51
3	A'	2737	2422	64.15
4	A'	1652	1462	0.53
5	A'	1211	1072	23.56
6	A'	1138	1007	0.01
7	A'	880	779	0.23
8	A"	1005	890	0.24
9	A"	933	826	37.96

Atom	x (Å)	y (Å)
C1	0.057	1.058
P2	0.057	-0.596
H3	-0.828	1.703
H4	0.998	1.616
H5	-1.357	-0.731

	C1	P2	H3	H4	H5
C1		1.6536	1.0947	1.0949	2.2793
P2	1.6536		2.4627	2.4041	1.4195
H3	1.0947	2.4627		1.8287	2.4897
H4	1.0949	2.4041	1.8287		3.3246
H5	2.2793	1.4195	2.4897	3.3246

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	95.449		P2	C1	H3	126.073
P2	C1	H4	120.657		H3	C1	H4	113.270

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3PW91/STO-3G

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	-0.357
2	P	0.312
3	H	0.070
4	H	0.069
5	H	-0.095

	x	y	z	Total
	-0.350	0.164	0.000	0.386
CHELPG
AIM
ESP

	x	y	z
x	2.102	0.404	0.000
y	0.404	3.483	0.000
z	0.000	0.000	0.888

<r²>	32.830
(<r²>)^1/2	5.730

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)