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	hartrees
Energy at 0K	-15.128754
Energy at 298.15K	-15.134282
Nuclear repulsion energy	21.839984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	3061	36.19
2	A	3055	2958	38.06
3	A	2206	2136	167.85
4	A	1489	1442	13.38
5	A	1355	1312	0.99
6	A	1104	1069	26.06
7	A	1001	969	78.60
8	A	732	709	2.90
9	A	637	617	3.36
10	A	3159	3059	30.18
11	A	2243	2173	203.90
12	A	1488	1441	11.25
13	A	1039	1006	28.58
14	A	704	681	3.11
15	A	209	202	6.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.136	0.911	0.000
P2	0.136	-1.021	0.000
H3	-0.878	1.341	0.000
H4	0.681	1.258	0.892
H5	0.681	1.258	-0.892
H6	-0.853	-1.198	-1.065
H7	-0.853	-1.198	1.065

	C1	P2	H3	H4	H5	H6	H7
C1		1.9314	1.1010	1.1014	1.1014	2.5612	2.5612
P2	1.9314		2.5696	2.5072	2.5072	1.4639	1.4639
H3	1.1010	2.5696		1.7975	1.7975	2.7533	2.7533
H4	1.1014	2.5072	1.7975		1.7838	3.4951	2.9014
H5	1.1014	2.5072	1.7975	1.7838		2.9014	3.4951
H6	2.5612	1.4639	2.7533	3.4951	2.9014		2.1292
H7	2.5612	1.4639	2.7533	2.9014	3.4951	2.1292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	96.977	C1	P2	H7	96.977
P2	C1	H3	112.981	P2	C1	H4	108.397
P2	C1	H5	108.397	H3	C1	H4	109.403
H3	C1	H5	109.403	H4	C1	H5	108.143
H6	P2	H7	93.313

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	-0.612
2	P	0.091
3	H	0.185
4	H	0.188
5	H	0.188
6	H	-0.020
7	H	-0.020

	x	y	z	Total
	-1.258	1.209	0.000	1.745
CHELPG
AIM
ESP

	x	y	z
x	3.781	0.469	0.000
y	0.469	5.799	0.000
z	0.000	0.000	4.545

<r²>	37.091
(<r²>)^1/2	6.090

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)