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	hartrees
Energy at 0K	-379.321353
Energy at 298.15K	-379.326915
Nuclear repulsion energy	58.818919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3121	3069	2.89
2	A	3017	2967	6.79
3	A	2162	2127	74.97
4	A	1485	1461	15.61
5	A	1332	1310	4.53
6	A	1098	1080	13.94
7	A	978	962	54.39
8	A	729	717	1.95
9	A	650	639	2.87
10	A	3112	3061	1.68
11	A	2181	2145	86.52
12	A	1480	1455	15.50
13	A	1035	1018	29.86
14	A	709	697	1.25
15	A	226	222	5.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.074	1.212	0.000
P2	0.074	-0.690	0.000
H3	-0.939	1.641	0.000
H4	0.621	1.555	0.892
H5	0.621	1.555	-0.892
H6	-0.926	-0.838	-1.056
H7	-0.926	-0.838	1.056

	C1	P2	H3	H4	H5	H6	H7
C1		1.9018	1.1001	1.1013	1.1013	2.5138	2.5138
P2	1.9018		2.5410	2.4771	2.4771	1.4619	1.4619
H3	1.1001	2.5410		1.7991	1.7991	2.6945	2.6945
H4	1.1013	2.4771	1.7991		1.7844	3.4523	2.8547
H5	1.1013	2.4771	1.7991	1.7844		2.8547	3.4523
H6	2.5138	1.4619	2.6945	3.4523	2.8547		2.1121
H7	2.5138	1.4619	2.6945	2.8547	3.4523	2.1121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	95.834	C1	P2	H7	95.834
P2	C1	H3	112.926	P2	C1	H4	108.171
P2	C1	H5	108.171	H3	C1	H4	109.619
H3	C1	H5	109.619	H4	C1	H5	108.213
H6	P2	H7	92.505

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

using model chemistry: LSDA/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	-0.931
2	P	0.108
3	H	0.243
4	H	0.249
5	H	0.249
6	H	0.041
7	H	0.041

	x	y	z	Total
	-1.076	1.244	0.000	1.645
CHELPG
AIM
ESP

	x	y	z
x	4.192	0.440	0.000
y	0.440	5.084	0.000
z	0.000	0.000	4.643

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G

States and conformations

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