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	hartrees
Energy at 0K	-381.033915
Energy at 298.15K	-381.037039
HF Energy	-381.033915
Nuclear repulsion energy	48.471803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3113	0.99
2	A'	3180	3024	4.57
3	A'	2385	2269	136.08
4	A'	1483	1410	0.79
5	A'	1052	1000	37.97
6	A'	1022	972	0.79
7	A'	757	720	0.24
8	A"	929	884	51.94
9	A"	870	828	32.47

Atom	x (Å)	y (Å)
C1	0.056	1.072
P2	0.056	-0.597
H3	-0.829	1.703
H4	1.006	1.603
H5	-1.362	-0.782

	C1	P2	H3	H4	H5
C1		1.6689	1.0871	1.0882	2.3347
P2	1.6689		2.4641	2.3962	1.4305
H3	1.0871	2.4641		1.8381	2.5416
H4	1.0882	2.3962	1.8381		3.3614
H5	2.3347	1.4305	2.5416	3.3614

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.451		P2	C1	H3	125.458
P2	C1	H4	119.202		H3	C1	H4	115.340

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HSEh1PBE/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	-0.524
2	P	0.122
3	H	0.210
4	H	0.207
5	H	-0.015

	x	y	z	Total
	-0.589	1.089	0.000	1.238
CHELPG
AIM
ESP

	x	y	z
x	4.358	0.327	0.000
y	0.327	6.635	0.000
z	0.000	0.000	2.901

<r²>	34.461
(<r²>)^1/2	5.870

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)