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	hartrees
Energy at 0K	-381.547174
Energy at 298.15K	-381.552895
Nuclear repulsion energy	60.336019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3252	2955	13.75
2	A	3169	2879	19.57
3	A	2519	2288	77.80
4	A	1586	1441	4.50
5	A	1449	1317	0.08
6	A	1212	1102	24.72
7	A	1079	980	46.25
8	A	787	715	1.52
9	A	729	663	8.74
10	A	3237	2941	14.34
11	A	2515	2285	105.47
12	A	1594	1448	5.48
13	A	1116	1014	21.46
14	A	739	671	2.65
15	A	247	224	1.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.068	1.184	0.000
P2	0.068	-0.667	0.000
H3	-0.924	1.611	0.000
H4	0.602	1.534	0.874
H5	0.602	1.534	-0.874
H6	-0.854	-0.890	-1.038
H7	-0.854	-0.890	1.038

	C1	P2	H3	H4	H5	H6	H7
C1		1.8513	1.0799	1.0821	1.0821	2.4961	2.4961
P2	1.8513		2.4846	2.4273	2.4273	1.4062	1.4062
H3	1.0799	2.4846		1.7602	1.7602	2.7088	2.7088
H4	1.0821	2.4273	1.7602		1.7483	3.4132	2.8320
H5	1.0821	2.4273	1.7602	1.7483		2.8320	3.4132
H6	2.4961	1.4062	2.7088	3.4132	2.8320		2.0763
H7	2.4961	1.4062	2.7088	2.8320	3.4132	2.0763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	99.127	C1	P2	H7	99.127
P2	C1	H3	113.267	P2	C1	H4	108.835
P2	C1	H5	108.835	H3	C1	H4	109.000
H3	C1	H5	109.000	H4	C1	H5	107.761
H6	P2	H7	95.167

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

using model chemistry: HF/aug-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	-0.923
2	P	0.288
3	H	0.256
4	H	0.258
5	H	0.258
6	H	-0.068
7	H	-0.068

	x	y	z	Total
	-0.692	1.100	0.000	1.299
CHELPG
AIM
ESP

	x	y	z
x	5.717	0.125	0.000
y	0.125	6.814	0.000
z	0.000	0.000	5.630

<r²>	44.749
(<r²>)^1/2	6.689

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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