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	hartrees
Energy at 0K	-381.209160
Energy at 298.15K	-381.212284
HF Energy	-381.209160
Nuclear repulsion energy	48.588810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3112	1.28
2	A'	3185	3024	4.53
3	A'	2396	2274	132.56
4	A'	1486	1411	0.67
5	A'	1051	998	36.42
6	A'	1030	978	2.01
7	A'	755	717	0.20
8	A"	932	884	49.20
9	A"	872	828	32.22

Atom	x (Å)	y (Å)
C1	0.056	1.069
P2	0.056	-0.596
H3	-0.827	1.699
H4	1.004	1.600
H5	-1.358	-0.779

	C1	P2	H3	H4	H5
C1		1.6649	1.0850	1.0863	2.3274
P2	1.6649		2.4587	2.3916	1.4259
H3	1.0850	2.4587		1.8340	2.5343
H4	1.0863	2.3916	1.8340		3.3526
H5	2.3274	1.4259	2.5343	3.3526

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.405		P2	C1	H3	125.466
P2	C1	H4	119.262		H3	C1	H4	115.272

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B1B95/6-31G*

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	-0.508
2	P	0.124
3	H	0.202
4	H	0.200
5	H	-0.018

	x	y	z	Total
	-0.567	1.050	0.000	1.193
CHELPG
AIM
ESP

	x	y	z
x	4.324	0.322	0.000
y	0.322	6.574	0.000
z	0.000	0.000	2.873

<r²>	34.303
(<r²>)^1/2	5.857

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)