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	hartrees
Energy at 0K	-382.406063
Energy at 298.15K	-382.411591
Nuclear repulsion energy	59.269430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3065	3048	10.53
2	A	2978	2962	14.12
3	A	2289	2277	63.81
4	A	1440	1432	3.19
5	A	1284	1277	1.70
6	A	1090	1084	14.58
7	A	968	963	37.24
8	A	718	714	0.13
9	A	636	633	6.76
10	A	3051	3034	9.78
11	A	2298	2286	89.28
12	A	1443	1435	3.71
13	A	1006	1001	15.19
14	A	680	677	0.22
15	A	229	228	1.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.072	1.204	0.000
P2	0.072	-0.683	0.000
H3	-0.933	1.645	0.000
H4	0.618	1.554	0.888
H5	0.618	1.554	-0.888
H6	-0.904	-0.865	-1.036
H7	-0.904	-0.865	1.036

	C1	P2	H3	H4	H5	H6	H7
C1		1.8871	1.0978	1.0999	1.0999	2.5114	2.5114
P2	1.8871		2.5363	2.4683	2.4683	1.4348	1.4348
H3	1.0978	2.5363		1.7901	1.7901	2.7163	2.7163
H4	1.0999	2.4683	1.7901		1.7758	3.4457	2.8626
H5	1.0999	2.4683	1.7901	1.7758		2.8626	3.4457
H6	2.5114	1.4348	2.7163	3.4457	2.8626		2.0717
H7	2.5114	1.4348	2.7163	2.8626	3.4457	2.0717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.297	C1	P2	H7	97.297
P2	C1	H3	113.718	P2	C1	H4	108.568
P2	C1	H5	108.568	H3	C1	H4	109.081
H3	C1	H5	109.081	H4	C1	H5	107.652
H6	P2	H7	92.431

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.330
2	P	-0.174
3	H	0.123
4	H	0.123
5	H	0.123
6	H	0.067
7	H	0.067

	x	y	z	Total
	-0.625	1.111	0.000	1.275
CHELPG
AIM
ESP

	x	y	z
x	4.752	0.266	0.000
y	0.266	5.955	0.000
z	0.000	0.000	4.948

<r²>	45.463
(<r²>)^1/2	6.743

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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