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	hartrees
Energy at 0K	-382.457775
Energy at 298.15K	-382.463369
Nuclear repulsion energy	59.603519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3152	3019	11.98
2	A	3064	2936	16.46
3	A	2389	2289	97.80
4	A	1509	1445	5.62
5	A	1363	1306	0.24
6	A	1144	1096	17.89
7	A	1015	972	52.83
8	A	747	715	0.57
9	A	671	642	6.76
10	A	3141	3009	10.99
11	A	2399	2298	131.19
12	A	1510	1447	7.22
13	A	1051	1007	20.45
14	A	706	676	0.87
15	A	235	225	2.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.197	0.000
P2	0.071	-0.679	0.000
H3	-0.930	1.637	0.000
H4	0.613	1.549	0.883
H5	0.613	1.549	-0.883
H6	-0.891	-0.864	-1.036
H7	-0.891	-0.864	1.036

	C1	P2	H3	H4	H5	H6	H7
C1		1.8756	1.0929	1.0945	1.0945	2.4988	2.4988
P2	1.8756		2.5228	2.4574	2.4574	1.4257	1.4257
H3	1.0929	2.5228		1.7795	1.7795	2.7073	2.7073
H4	1.0945	2.4574	1.7795		1.7657	3.4304	2.8475
H5	1.0945	2.4574	1.7795	1.7657		2.8475	3.4304
H6	2.4988	1.4257	2.7073	3.4304	2.8475		2.0724
H7	2.4988	1.4257	2.7073	2.8475	3.4304	2.0724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.451	C1	P2	H7	97.451
P2	C1	H3	113.762	P2	C1	H4	108.796
P2	C1	H5	108.796	H3	C1	H4	108.884
H3	C1	H5	108.884	H4	C1	H5	107.540
H6	P2	H7	93.237

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

using model chemistry: B3LYPultrafine/6-31G*

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	-0.617
2	P	0.072
3	H	0.177
4	H	0.175
5	H	0.175
6	H	0.009
7	H	0.009

	x	y	z	Total
	-0.733	1.099	0.000	1.321
CHELPG
AIM
ESP

	x	y	z
x	4.238	0.357	0.000
y	0.357	5.331	0.000
z	0.000	0.000	4.644

<r²>	45.184
(<r²>)^1/2	6.722

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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