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	hartrees
Energy at 0K	-381.157452
Energy at 298.15K	-381.160571
HF Energy	-381.157452
Nuclear repulsion energy	48.439843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3121	1.09
2	A'	3160	3029	4.36
3	A'	2359	2261	124.79
4	A'	1464	1404	0.86
5	A'	1043	999	35.91
6	A'	1013	971	0.93
7	A'	751	720	0.23
8	A"	922	884	49.46
9	A"	865	829	30.70

Atom	x (Å)	y (Å)
C1	0.056	1.073
P2	0.056	-0.597
H3	-0.829	1.703
H4	1.007	1.603
H5	-1.362	-0.785

	C1	P2	H3	H4	H5
C1		1.6705	1.0867	1.0880	2.3375
P2	1.6705		2.4650	2.3968	1.4309
H3	1.0867	2.4650		1.8387	2.5441
H4	1.0880	2.3968	1.8387		3.3634
H5	2.3375	1.4309	2.5441	3.3634

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	P2	H5	97.519		P2	C1	H3	125.423
P2	C1	H4	119.138		H3	C1	H4	115.439

All results from a given calculation for CH₂PH (Phosphaethene)

using model chemistry: B3PW91/6-31G**

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	-0.440
2	P	0.147
3	H	0.168
4	H	0.166
5	H	-0.042

	x	y	z	Total
	-0.581	1.073	0.000	1.220
CHELPG
AIM
ESP

	x	y	z
x	4.381	0.350	0.001
y	0.350	6.655	0.001
z	0.001	0.001	2.936

<r²>	34.451
(<r²>)^1/2	5.870

All results from a given calculation for CH2PH (Phosphaethene)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for CH₂PH (Phosphaethene)