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	hartrees
Energy at 0K	-46.352380
Energy at 298.15K	-46.355506
HF Energy	-46.352380
Nuclear repulsion energy	21.049261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3148	5.76
2	A'	3165	3042	5.82
3	A'	2216	2130	124.21
4	A'	1479	1421	4.53
5	A'	1060	1019	35.74
6	A'	958	921	0.11
7	A'	784	754	0.09
8	A"	954	917	116.32
9	A"	860	827	15.71

Atom	x (Å)	y (Å)
C1	0.058	1.100
P2	0.058	-0.611
H3	-0.832	1.726
H4	1.006	1.634
H5	-1.389	-0.802

	C1	P2	H3	H4	H5
C1		1.7106	1.0876	1.0884	2.3900
P2	1.7106		2.4998	2.4368	1.4596
H3	1.0876	2.4998		1.8404	2.5884
H4	1.0884	2.4368	1.8404		3.4166
H5	2.3900	1.4596	2.5884	3.4166

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.542		P2	C1	H3	125.105
P2	C1	H4	119.388		H3	C1	H4	115.507

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3LYP/LANL2DZ

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	-0.761
2	P	0.303
3	H	0.253
4	H	0.250
5	H	-0.045

	x	y	z	Total
	-0.574	0.901	0.000	1.069
CHELPG
AIM
ESP

	x	y	z
x	4.298	0.382	0.000
y	0.382	7.050	0.000
z	0.000	0.000	1.727

<r²>	31.308
(<r²>)^1/2	5.595

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)