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	hartrees
Energy at 0K	-380.031831
Energy at 298.15K	-380.034907
HF Energy	-380.031831
Nuclear repulsion energy	48.314609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3133	0.11
2	A'	3081	3035	1.79
3	A'	2280	2246	102.55
4	A'	1391	1370	3.07
5	A'	1004	989	19.64
6	A'	989	974	19.60
7	A'	725	714	0.05
8	A"	881	868	57.42
9	A"	830	818	39.84

Atom	x (Å)	y (Å)
C1	0.057	1.073
P2	0.057	-0.598
H3	-0.835	1.710
H4	1.018	1.601
H5	-1.376	-0.771

	C1	P2	H3	H4	H5
C1		1.6711	1.0960	1.0973	2.3349
P2	1.6711		2.4747	2.4006	1.4434
H3	1.0960	2.4747		1.8563	2.5392
H4	1.0973	2.4006	1.8563		3.3705
H5	2.3349	1.4434	2.5392	3.3705

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	96.854		P2	C1	H3	125.568
P2	C1	H4	118.796		H3	C1	H4	115.636

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: LSDA/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	-0.501
2	P	0.097
3	H	0.208
4	H	0.205
5	H	-0.008

	x	y	z	Total
	-0.603	0.883	0.000	1.069
CHELPG
AIM
ESP

	x	y	z
x	4.953	0.258	0.000
y	0.258	7.561	0.000
z	0.000	0.000	3.851

<r²>	34.880
(<r²>)^1/2	5.906

All results from a given calculation for CH2PH (Phosphaethene)

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

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)