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	hartrees
Energy at 0K	-382.395283
Energy at 298.15K	-382.400872
Nuclear repulsion energy	58.943284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3054	9.71
2	A	3094	2950	16.73
3	A	2275	2170	122.20
4	A	1521	1451	11.14
5	A	1383	1319	1.44
6	A	1117	1065	17.28
7	A	1015	968	53.62
8	A	751	716	1.82
9	A	663	632	3.35
10	A	3198	3050	8.07
11	A	2301	2194	150.25
12	A	1522	1451	12.08
13	A	1055	1006	25.58
14	A	724	690	2.47
15	A	221	211	4.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.072	1.217	0.000
P2	0.072	-0.689	0.000
H3	-0.932	1.644	0.000
H4	0.611	1.562	0.884
H5	0.611	1.562	-0.884
H6	-0.896	-0.872	-1.059
H7	-0.896	-0.872	1.059

	C1	P2	H3	H4	H5	H6	H7
C1		1.9060	1.0901	1.0910	1.0910	2.5342	2.5342
P2	1.9060		2.5393	2.4774	2.4774	1.4462	1.4462
H3	1.0901	2.5393		1.7793	1.7793	2.7297	2.7297
H4	1.0910	2.4774	1.7793		1.7675	3.4595	2.8678
H5	1.0910	2.4774	1.7793	1.7675		2.8678	3.4595
H6	2.5342	1.4462	2.7297	3.4595	2.8678		2.1178
H7	2.5342	1.4462	2.7297	2.8678	3.4595	2.1178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.270	C1	P2	H7	97.270
P2	C1	H3	113.042	P2	C1	H4	108.418
P2	C1	H5	108.418	H3	C1	H4	109.325
H3	C1	H5	109.325	H4	C1	H5	108.196
H6	P2	H7	94.139

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

using model chemistry: B1B95/6-31G

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	-0.732
2	P	0.173
3	H	0.190
4	H	0.193
5	H	0.193
6	H	-0.009
7	H	-0.009

	x	y	z	Total
	-1.018	1.230	0.000	1.597
CHELPG
AIM
ESP

	x	y	z
x	4.215	0.427	0.000
y	0.427	5.333	0.000
z	0.000	0.000	4.724

<r²>	46.091
(<r²>)^1/2	6.789

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

using model chemistry: B1B95/6-31G

States and conformations

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