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	hartrees
Energy at 0K	-15.176749
Energy at 298.15K	-15.182307
Nuclear repulsion energy	22.133150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3119	3023	19.60
2	A	3028	2935	24.90
3	A	2322	2251	90.98
4	A	1492	1446	6.55
5	A	1337	1296	0.10
6	A	1111	1077	17.49
7	A	990	960	47.94
8	A	730	708	0.40
9	A	660	639	8.14
10	A	3105	3010	20.27
11	A	2341	2269	113.35
12	A	1494	1448	8.28
13	A	1029	998	17.10
14	A	693	672	0.81
15	A	224	217	1.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.134	0.890	0.000
P2	0.134	-1.003	0.000
H3	-0.869	1.327	0.000
H4	0.677	1.243	0.885
H5	0.677	1.243	-0.885
H6	-0.847	-1.179	-1.041
H7	-0.847	-1.179	1.041

	C1	P2	H3	H4	H5	H6	H7
C1		1.8937	1.0944	1.0964	1.0964	2.5159	2.5159
P2	1.8937		2.5375	2.4744	2.4744	1.4411	1.4411
H3	1.0944	2.5375		1.7834	1.7834	2.7143	2.7143
H4	1.0964	2.4744	1.7834		1.7701	3.4493	2.8660
H5	1.0964	2.4744	1.7834	1.7701		2.8660	3.4493
H6	2.5159	1.4411	2.7143	3.4493	2.8660		2.0813
H7	2.5159	1.4411	2.7143	2.8660	3.4493	2.0813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.019	C1	P2	H7	97.019
P2	C1	H3	113.535	P2	C1	H4	108.753
P2	C1	H5	108.753	H3	C1	H4	108.992
H3	C1	H5	108.992	H4	C1	H5	107.654
H6	P2	H7	92.458

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

using model chemistry: B3LYP/CEP-121G*

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	-0.563
2	P	-0.012
3	H	0.183
4	H	0.178
5	H	0.178
6	H	0.018
7	H	0.018

	x	y	z	Total
	-0.584	1.037	0.000	1.190
CHELPG
AIM
ESP

	x	y	z
x	5.017	0.331	0.000
y	0.331	6.245	0.000
z	0.000	0.000	5.301

<r²>	36.324
(<r²>)^1/2	6.027

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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