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	hartrees
Energy at 0K	-380.253132
Energy at 298.15K	-380.258666
Nuclear repulsion energy	58.316791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3106	3078	7.52
2	A	3009	2982	12.93
3	A	2161	2142	88.40
4	A	1502	1489	11.38
5	A	1338	1326	0.56
6	A	1108	1098	16.99
7	A	983	974	51.06
8	A	727	720	1.68
9	A	626	620	2.42
10	A	3099	3071	5.88
11	A	2177	2157	105.33
12	A	1497	1484	11.24
13	A	1034	1025	24.60
14	A	711	704	1.47
15	A	213	211	4.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.074	1.232	0.000
P2	0.074	-0.700	0.000
H3	-0.943	1.652	0.000
H4	0.619	1.573	0.894
H5	0.619	1.573	-0.894
H6	-0.925	-0.847	-1.057
H7	-0.925	-0.847	1.057

	C1	P2	H3	H4	H5	H6	H7
C1		1.9311	1.1003	1.1014	1.1014	2.5368	2.5368
P2	1.9311		2.5624	2.5019	2.5019	1.4618	1.4618
H3	1.1003	2.5624		1.8013	1.8013	2.7138	2.7138
H4	1.1014	2.5019	1.8013		1.7885	3.4706	2.8749
H5	1.1014	2.5019	1.8013	1.7885		2.8749	3.4706
H6	2.5368	1.4618	2.7138	3.4706	2.8749		2.1137
H7	2.5368	1.4618	2.7138	2.8749	3.4706	2.1137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	95.789	C1	P2	H7	95.789
P2	C1	H3	112.489	P2	C1	H4	108.037
P2	C1	H5	108.037	H3	C1	H4	109.801
H3	C1	H5	109.801	H4	C1	H5	108.575
H6	P2	H7	92.603

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

using model chemistry: PBEPBE/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
1	C	-0.890
2	P	0.140
3	H	0.231
4	H	0.235
5	H	0.235
6	H	0.024
7	H	0.024

	x	y	z	Total
	-0.992	1.173	0.000	1.537
CHELPG
AIM
ESP

	x	y	z
x	4.178	0.435	0.000
y	0.435	5.225	0.000
z	0.000	0.000	4.638

<r²>	46.830
(<r²>)^1/2	6.843

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

using model chemistry: PBEPBE/3-21G

States and conformations

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