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	hartrees
Energy at 0K	-381.216309
Energy at 298.15K	-381.219453
HF Energy	-381.216309
Nuclear repulsion energy	48.600213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3107	0.52
2	A'	3158	3016	3.27
3	A'	2338	2232	104.88
4	A'	1468	1402	3.47
5	A'	1054	1007	27.23
6	A'	1032	985	3.52
7	A'	768	734	0.24
8	A"	933	891	67.46
9	A"	875	836	19.06

Atom	x (Å)	y (Å)
C1	0.057	1.068
P2	0.057	-0.595
H3	-0.830	1.691
H4	1.003	1.599
H5	-1.361	-0.777

	C1	P2	H3	H4	H5
C1		1.6630	1.0839	1.0848	2.3273
P2	1.6630		2.4521	2.3891	1.4294
H3	1.0839	2.4521		1.8355	2.5251
H4	1.0848	2.3891	1.8355		3.3519
H5	2.3273	1.4294	2.5251	3.3519

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.341		P2	C1	H3	125.083
P2	C1	H4	119.286		H3	C1	H4	115.631

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: wB97X-D/TZVP

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	-0.433
2	P	0.136
3	H	0.165
4	H	0.159
5	H	-0.027

	x	y	z	Total
	-0.568	0.831	0.000	1.006
CHELPG
AIM
ESP

	x	y	z
x	4.904	0.304	0.000
y	0.304	7.566	0.000
z	0.000	0.000	3.237

<r²>	34.498
(<r²>)^1/2	5.873

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)