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	hartrees
Energy at 0K	-381.546983
Energy at 298.15K	-381.552704
Nuclear repulsion energy	60.331540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3253	2955	14.51
2	A	3170	2879	19.83
3	A	2519	2288	77.37
4	A	1586	1441	4.38
5	A	1450	1317	0.06
6	A	1213	1102	23.85
7	A	1080	981	44.99
8	A	787	715	1.22
9	A	729	662	8.54
10	A	3238	2941	14.72
11	A	2516	2285	107.87
12	A	1594	1448	5.35
13	A	1117	1014	21.39
14	A	739	672	2.46
15	A	247	224	1.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.068	1.184	0.000
P2	0.068	-0.667	0.000
H3	-0.924	1.610	0.000
H4	0.602	1.534	0.874
H5	0.602	1.534	-0.874
H6	-0.855	-0.889	-1.038
H7	-0.855	-0.889	1.038

	C1	P2	H3	H4	H5	H6	H7
C1		1.8517	1.0799	1.0821	1.0821	2.4952	2.4952
P2	1.8517		2.4844	2.4277	2.4277	1.4062	1.4062
H3	1.0799	2.4844		1.7603	1.7603	2.7068	2.7068
H4	1.0821	2.4277	1.7603		1.7484	3.4124	2.8312
H5	1.0821	2.4277	1.7603	1.7484		2.8312	3.4124
H6	2.4952	1.4062	2.7068	3.4124	2.8312		2.0756
H7	2.4952	1.4062	2.7068	2.8312	3.4124	2.0756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	99.058	C1	P2	H7	99.058
P2	C1	H3	113.226	P2	C1	H4	108.836
P2	C1	H5	108.836	H3	C1	H4	109.011
H3	C1	H5	109.011	H4	C1	H5	107.780
H6	P2	H7	95.126

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

using model chemistry: HF/cc-pVQZ

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	-0.333
2	P	0.242
3	H	0.082
4	H	0.078
5	H	0.078
6	H	-0.073
7	H	-0.073

	x	y	z	Total
	-0.678	1.090	0.000	1.284
CHELPG
AIM
ESP

	x	y	z
x	5.337	0.219	0.000
y	0.219	6.509	0.000
z	0.000	0.000	5.465

<r²>	44.738
(<r²>)^1/2	6.689

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

using model chemistry: HF/cc-pVQZ

States and conformations

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