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	hartrees
Energy at 0K	-381.209682
Energy at 298.15K	-381.212810
HF Energy	-381.209682
Nuclear repulsion energy	48.499533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3115	0.36
2	A'	3176	3023	4.12
3	A'	2384	2269	121.76
4	A'	1468	1397	2.05
5	A'	1048	997	37.90
6	A'	1018	969	2.60
7	A'	759	722	0.16
8	A"	928	884	65.22
9	A"	868	827	29.14

Atom	x (Å)	y (Å)
C1	0.056	1.072
P2	0.056	-0.597
H3	-0.830	1.699
H4	1.005	1.603
H5	-1.359	-0.783

	C1	P2	H3	H4	H5
C1		1.6689	1.0856	1.0868	2.3331
P2	1.6689		2.4606	2.3952	1.4275
H3	1.0856	2.4606		1.8376	2.5370
H4	1.0868	2.3952	1.8376		3.3581
H5	2.3331	1.4275	2.5370	3.3581

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.484		P2	C1	H3	125.246
P2	C1	H4	119.219		H3	C1	H4	115.535

All results from a given calculation for CH₂PH (Phosphaethene)

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

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	-0.461
2	P	0.114
3	H	0.195
4	H	0.192
5	H	-0.040

	x	y	z	Total
	-0.597	0.905	0.000	1.084
CHELPG
AIM
ESP

	x	y	z
x	4.740	0.273	0.000
y	0.273	7.520	0.000
z	0.000	0.000	3.801

<r²>	34.678
(<r²>)^1/2	5.889

All results from a given calculation for CH2PH (Phosphaethene)

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

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)