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	hartrees
Energy at 0K	-379.689760
Energy at 298.15K	-379.695378
HF Energy	-379.533189
Nuclear repulsion energy	58.630664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3056	8.16
2	A	3111	2970	13.02
3	A	2269	2166	76.51
4	A	1579	1507	8.54
5	A	1430	1364	0.21
6	A	1139	1087	27.33
7	A	1037	989	49.21
8	A	760	725	2.81
9	A	653	623	3.20
10	A	3198	3052	6.07
11	A	2269	2165	108.02
12	A	1579	1508	8.63
13	A	1082	1033	23.51
14	A	721	688	3.97
15	A	229	218	3.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.231	0.000
P2	0.071	-0.695	0.000
H3	-0.939	1.644	0.000
H4	0.607	1.575	0.887
H5	0.607	1.575	-0.887
H6	-0.884	-0.878	-1.065
H7	-0.884	-0.878	1.065

	C1	P2	H3	H4	H5	H6	H7
C1		1.9256	1.0917	1.0923	1.0923	2.5483	2.5483
P2	1.9256		2.5482	2.4956	2.4956	1.4422	1.4422
H3	1.0917	2.5482		1.7840	1.7840	2.7387	2.7387
H4	1.0923	2.4956	1.7840		1.7742	3.4718	2.8767
H5	1.0923	2.4956	1.7840	1.7742		2.8767	3.4718
H6	2.5483	1.4422	2.7387	3.4718	2.8767		2.1294
H7	2.5483	1.4422	2.7387	2.8767	3.4718	2.1294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.302	C1	P2	H7	97.302
P2	C1	H3	112.273	P2	C1	H4	108.389
P2	C1	H5	108.389	H3	C1	H4	109.547
H3	C1	H5	109.547	H4	C1	H5	108.619
H6	P2	H7	95.163

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.842	-0.044
2	P	0.279	-0.350
3	H	0.209	0.067
4	H	0.209	0.067
5	H	0.207	0.016
6	H	-0.031	0.122
7	H	-0.031	0.122

	x	y	z	Total
	0.961	0.000	0.994	1.382
CHELPG
AIM
ESP	0.954	0.000	0.929	1.331

	x	y	z
x	3.910	0.513	0.000
y	0.513	5.066	0.000
z	0.000	0.000	4.622

<r²>	47.046
(<r²>)^1/2	6.859

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

using model chemistry: MP2/3-21G

States and conformations

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