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	hartrees
Energy at 0K	-380.342053
Energy at 298.15K	-380.345344
HF Energy	-380.342053
Nuclear repulsion energy	49.143555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3369	3369	0.34
2	A'	3281	3281	5.58
3	A'	2483	2483	113.91
4	A'	1577	1577	3.22
5	A'	1118	1118	31.57
6	A'	1087	1087	0.51
7	A'	797	797	2.20
8	A"	1027	1027	67.60
9	A"	938	938	15.30

Atom	x (Å)	y (Å)
C1	0.056	1.058
P2	0.056	-0.586
H3	-0.826	1.670
H4	0.991	1.588
H5	-1.338	-0.811

	C1	P2	H3	H4	H5
C1		1.6446	1.0733	1.0750	2.3313
P2	1.6446		2.4226	2.3672	1.4115
H3	1.0733	2.4226		1.8190	2.5330
H4	1.0750	2.3672	1.8190		3.3434
H5	2.3313	1.4115	2.5330	3.3434

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	99.145		P2	C1	H3	124.751
P2	C1	H4	119.539		H3	C1	H4	115.710

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: HF/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	-0.387
2	P	0.028
3	H	0.170
4	H	0.162
5	H	0.027

	x	y	z	Total
	-0.580	0.895	0.000	1.066
CHELPG
AIM
ESP

	x	y	z
x	5.356	0.234	0.000
y	0.234	7.773	0.000
z	0.000	0.000	4.894

<r²>	34.250
(<r²>)^1/2	5.852

All results from a given calculation for CH2PH (Phosphaethene)

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

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)