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	hartrees
Energy at 0K	-381.206632
Energy at 298.15K	-381.209760
HF Energy	-381.206632
Nuclear repulsion energy	48.532896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3118	0.67
2	A'	3180	3025	3.84
3	A'	2383	2267	123.78
4	A'	1473	1402	0.97
5	A'	1049	998	36.52
6	A'	1023	974	1.29
7	A'	755	719	0.29
8	A"	931	886	51.10
9	A"	872	830	29.98

Atom	x (Å)	y (Å)
C1	0.056	1.071
P2	0.056	-0.596
H3	-0.829	1.699
H4	1.005	1.600
H5	-1.359	-0.784

	C1	P2	H3	H4	H5
C1		1.6672	1.0851	1.0864	2.3331
P2	1.6672		2.4599	2.3927	1.4279
H3	1.0851	2.4599		1.8364	2.5386
H4	1.0864	2.3927	1.8364		3.3576
H5	2.3331	1.4279	2.5386	3.3576

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.541		P2	C1	H3	125.356
P2	C1	H4	119.162		H3	C1	H4	115.482

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: mPW1PW91/6-31G**

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	-0.449
2	P	0.150
3	H	0.171
4	H	0.169
5	H	-0.042

	x	y	z	Total
	-0.594	1.077	0.000	1.229
CHELPG
AIM
ESP

	x	y	z
x	4.373	0.332	0.000
y	0.332	6.669	0.000
z	0.000	0.000	2.937

<r²>	34.369
(<r²>)^1/2	5.862

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)