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	hartrees
Energy at 0K	-15.168748
Energy at 298.15K	-15.174297
Nuclear repulsion energy	22.081876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3144	3036	26.87
2	A	3055	2950	25.43
3	A	2334	2254	97.67
4	A	1481	1430	8.08
5	A	1327	1281	0.20
6	A	1122	1083	17.74
7	A	990	956	59.22
8	A	729	704	0.79
9	A	664	641	5.57
10	A	3136	3028	23.88
11	A	2353	2273	133.06
12	A	1482	1431	8.99
13	A	1029	994	23.31
14	A	692	669	0.84
15	A	225	218	4.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.134	0.891	0.000
P2	0.134	-1.003	0.000
H3	-0.877	1.328	0.000
H4	0.681	1.244	0.890
H5	0.681	1.244	-0.890
H6	-0.846	-1.182	-1.042
H7	-0.846	-1.182	1.042

	C1	P2	H3	H4	H5	H6	H7
C1		1.8940	1.1013	1.1026	1.1026	2.5186	2.5186
P2	1.8940		2.5411	2.4777	2.4777	1.4419	1.4419
H3	1.1013	2.5411		1.7960	1.7960	2.7182	2.7182
H4	1.1026	2.4777	1.7960		1.7803	3.4567	2.8700
H5	1.1026	2.4777	1.7960	1.7803		2.8700	3.4567
H6	2.5186	1.4419	2.7182	3.4567	2.8700		2.0848
H7	2.5186	1.4419	2.7182	2.8700	3.4567	2.0848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.118	C1	P2	H7	97.118
P2	C1	H3	113.406	P2	C1	H4	108.652
P2	C1	H5	108.652	H3	C1	H4	109.156
H3	C1	H5	109.156	H4	C1	H5	107.661
H6	P2	H7	92.597

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

using model chemistry: B3LYP/CEP-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	-0.455
2	P	-0.218
3	H	0.178
4	H	0.171
5	H	0.171
6	H	0.076
7	H	0.076

	x	y	z	Total
	-0.983	1.088	0.000	1.466
CHELPG
AIM
ESP

	x	y	z
x	3.948	0.331	0.000
y	0.331	5.867	0.000
z	0.000	0.000	4.509

<r²>	36.146
(<r²>)^1/2	6.012

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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