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	hartrees
Energy at 0K	-381.231338
Energy at 298.15K	-381.234528
HF Energy	-381.231338
Nuclear repulsion energy	48.252204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3136	1.27
2	A'	3053	3053	6.14
3	A'	2247	2247	93.11
4	A'	1416	1416	1.50
5	A'	1012	1012	22.44
6	A'	963	963	1.33
7	A'	734	734	0.39
8	A"	881	881	37.09
9	A"	833	833	28.09

Atom	x (Å)	y (Å)
C1	0.057	1.078
P2	0.057	-0.600
H3	-0.831	1.708
H4	1.008	1.611
H5	-1.367	-0.791

	C1	P2	H3	H4	H5
C1		1.6779	1.0882	1.0899	2.3494
P2	1.6779		2.4724	2.4063	1.4365
H3	1.0882	2.4724		1.8411	2.5555
H4	1.0899	2.4063	1.8411		3.3772
H5	2.3494	1.4365	2.5555	3.3772

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.637		P2	C1	H3	125.357
P2	C1	H4	119.243		H3	C1	H4	115.400

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: BLYP/aug-cc-pV(T+d)Z

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	-0.365
2	P	0.126
3	H	0.128
4	H	0.122
5	H	-0.010

	x	y	z	Total
	-0.402	0.779	0.000	0.877
CHELPG
AIM
ESP

	x	y	z
x	5.804	0.201	0.000
y	0.201	7.822	0.000
z	0.000	0.000	4.988

<r²>	35.055
(<r²>)^1/2	5.921

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: BLYP/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)