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	hartrees
Energy at 0K	-381.202150
Energy at 298.15K	-381.205270
HF Energy	-381.202150
Nuclear repulsion energy	48.606509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3104	0.68
2	A'	3134	3014	4.61
3	A'	2345	2255	90.02
4	A'	1445	1389	2.43
5	A'	1032	992	20.46
6	A'	1014	975	4.04
7	A'	744	715	0.41
8	A"	914	879	43.27
9	A"	860	827	24.71

Atom	x (Å)	y (Å)
C1	0.057	1.069
P2	0.057	-0.595
H3	-0.830	1.692
H4	1.003	1.599
H5	-1.360	-0.781

	C1	P2	H3	H4	H5
C1		1.6641	1.0832	1.0851	2.3300
P2	1.6641		2.4526	2.3900	1.4291
H3	1.0832	2.4526		1.8352	2.5288
H4	1.0851	2.3900	1.8352		3.3543
H5	2.3300	1.4291	2.5288	3.3543

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.460		P2	C1	H3	125.096
P2	C1	H4	119.258		H3	C1	H4	115.646

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3PW91/cc-pVTZ

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	-0.327
2	P	0.044
3	H	0.139
4	H	0.131
5	H	0.014

	x	y	z	Total
	-0.481	0.820	0.000	0.951
CHELPG
AIM
ESP

	x	y	z
x	5.127	0.356	0.002
y	0.356	7.308	-0.006
z	0.002	-0.006	3.611

<r²>	34.410
(<r²>)^1/2	5.866

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)