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	hartrees
Energy at 0K	-382.457778
Energy at 298.15K	-382.463375
Nuclear repulsion energy	59.604244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3152	3027	12.00
2	A	3065	2943	16.46
3	A	2393	2298	97.79
4	A	1509	1449	5.62
5	A	1363	1309	0.24
6	A	1145	1100	17.90
7	A	1014	974	52.83
8	A	748	718	0.56
9	A	671	644	6.78
10	A	3141	3016	11.01
11	A	2402	2306	131.23
12	A	1510	1450	7.21
13	A	1051	1009	20.46
14	A	707	679	0.86
15	A	236	226	2.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.197	0.000
P2	0.071	-0.679	0.000
H3	-0.930	1.637	0.000
H4	0.613	1.549	0.883
H5	0.613	1.549	-0.883
H6	-0.891	-0.864	-1.036
H7	-0.891	-0.864	1.036

	C1	P2	H3	H4	H5	H6	H7
C1		1.8756	1.0929	1.0945	1.0945	2.4988	2.4988
P2	1.8756		2.5228	2.4574	2.4574	1.4255	1.4255
H3	1.0929	2.5228		1.7795	1.7795	2.7073	2.7073
H4	1.0945	2.4574	1.7795		1.7657	3.4303	2.8476
H5	1.0945	2.4574	1.7795	1.7657		2.8476	3.4303
H6	2.4988	1.4255	2.7073	3.4303	2.8476		2.0720
H7	2.4988	1.4255	2.7073	2.8476	3.4303	2.0720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.453	C1	P2	H7	97.453
P2	C1	H3	113.766	P2	C1	H4	108.796
P2	C1	H5	108.796	H3	C1	H4	108.883
H3	C1	H5	108.883	H4	C1	H5	107.537
H6	P2	H7	93.229

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

using model chemistry: B3LYP/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	CHELPG	AIM	ESP
1	C	-0.617	0.314	-0.553	0.168
2	P	0.072	-0.327	1.366	-0.343
3	H	0.177	-0.035	0.033	0.013
4	H	0.175	-0.061	0.038	-0.017
5	H	0.175	-0.061	0.038	-0.017
6	H	0.009	0.085	-0.460	0.098
7	H	0.009	0.085	-0.460	0.098

	x	y	Total
	-0.733	1.099	1.321
CHELPG	0.670	0.961	1.172
AIM	1.968	1.613	2.545
ESP	0.762	1.102	1.340

	x	y	z
x	4.238	0.357	0.000
y	0.357	5.331	0.000
z	0.000	0.000	4.644

<r²>	45.566
(<r²>)^1/2	6.750

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

using model chemistry: B3LYP/6-31G*

States and conformations

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