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	hartrees
Energy at 0K	-379.149791
Energy at 298.15K	-379.152950
HF Energy	-379.081471
Nuclear repulsion energy	48.468816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3249	1.87
2	A'	3163	3163	5.03
3	A'	2419	2419	103.63
4	A'	1530	1530	0.69
5	A'	1088	1088	36.58
6	A'	1019	1019	0.02
7	A'	794	794	0.25
8	A"	958	958	66.82
9	A"	888	888	25.32

Atom	x (Å)	y (Å)
C1	0.056	1.074
P2	0.056	-0.598
H3	-0.830	1.699
H4	1.001	1.610
H5	-1.354	-0.782

	C1	P2	H3	H4	H5
C1		1.6716	1.0849	1.0863	2.3305
P2	1.6716		2.4619	2.4012	1.4223
H3	1.0849	2.4619		1.8338	2.5351
H4	1.0863	2.4012	1.8338		3.3564
H5	2.3305	1.4223	2.5351	3.3564

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.422		P2	C1	H3	125.184
P2	C1	H4	119.559		H3	C1	H4	115.256

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B2PLYP/3-21G*

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	-0.596
2	P	0.185
3	H	0.213
4	H	0.208
5	H	-0.010

	x	y	z	Total
	-0.548	0.990	0.000	1.132
CHELPG
AIM
ESP

	x	y	z
x	4.117	0.358	0.000
y	0.358	6.149	0.000
z	0.000	0.000	2.399

<r²>	34.620
(<r²>)^1/2	5.884

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B2PLYP/3-21G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)