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	hartrees
Energy at 0K	-382.207430
Energy at 298.15K	-382.212975
HF Energy	-382.207430
Nuclear repulsion energy	59.353870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3098	3047	8.96
2	A'	3004	2954	13.50
3	A'	2323	2285	90.28
4	A'	1461	1437	6.73
5	A'	1312	1290	0.32
6	A'	1103	1084	14.50
7	A'	979	962	50.12
8	A'	727	715	0.67
9	A'	657	646	6.28
10	A"	3088	3037	7.80
11	A"	2339	2300	117.85
12	A"	1462	1438	8.28
13	A"	1018	1002	20.86
14	A"	686	675	0.40
15	A"	233	229	3.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.072	1.198	0.000
P2	0.072	-0.681	0.000
H3	-0.934	1.645	0.000
H4	0.620	1.551	0.888
H5	0.620	1.551	-0.888
H6	-0.907	-0.858	-1.039
H7	-0.907	-0.858	1.039

	C1	P2	H3	H4	H5	H6	H7
C1		1.8793	1.1005	1.1021	1.1021	2.5024	2.5024
P2	1.8793		2.5341	2.4645	2.4645	1.4379	1.4379
H3	1.1005	2.5341		1.7924	1.7924	2.7094	2.7094
H4	1.1021	2.4645	1.7924		1.7769	3.4419	2.8557
H5	1.1021	2.4645	1.7924	1.7769		2.8557	3.4419
H6	2.5024	1.4379	2.7094	3.4419	2.8557		2.0775
H7	2.5024	1.4379	2.7094	2.8557	3.4419	2.0775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.043	C1	P2	H7	97.043
P2	C1	H3	113.946	P2	C1	H4	108.691
P2	C1	H5	108.691	H3	C1	H4	108.934
H3	C1	H5	108.934	H4	C1	H5	107.449
H6	P2	H7	92.506

All results from a given calculation for CH₃PH₂ (Methyl phosphine)

using model chemistry: PBEPBEultrafine/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	-0.656
2	P	0.012
3	H	0.192
4	H	0.192
5	H	0.192
6	H	0.034
7	H	0.034

	x	y	z	Total
	-0.785	1.172	0.000	1.410
CHELPG
AIM
ESP

	x	y	z
x	4.362	0.341	0.001
y	0.341	5.445	-0.001
z	0.001	-0.001	4.705

<r²>	45.347
(<r²>)^1/2	6.734

All results from a given calculation for CH3PH2 (Methyl phosphine)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for CH₃PH₂ (Methyl phosphine)