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	hartrees
Energy at 0K	-382.394457
Energy at 298.15K	-382.400063
Nuclear repulsion energy	59.771637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3170	3033	9.30
2	A	3074	2941	14.49
3	A	2410	2306	93.66
4	A	1503	1438	6.94
5	A	1359	1300	0.58
6	A	1142	1092	17.04
7	A	1011	967	52.80
8	A	751	719	0.75
9	A	684	655	6.72
10	A	3160	3023	8.31
11	A	2420	2315	126.33
12	A	1504	1439	8.76
13	A	1051	1006	22.50
14	A	709	678	0.67
15	A	237	227	3.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.191	0.000
P2	0.071	-0.676	0.000
H3	-0.930	1.631	0.000
H4	0.614	1.544	0.882
H5	0.614	1.544	-0.882
H6	-0.891	-0.860	-1.034
H7	-0.891	-0.860	1.034

	C1	P2	H3	H4	H5	H6	H7
C1		1.8670	1.0930	1.0944	1.0944	2.4900	2.4900
P2	1.8670		2.5148	2.4500	2.4500	1.4245	1.4245
H3	1.0930	2.5148		1.7797	1.7797	2.6973	2.6973
H4	1.0944	2.4500	1.7797		1.7645	3.4229	2.8400
H5	1.0944	2.4500	1.7797	1.7645		2.8400	3.4229
H6	2.4900	1.4245	2.6973	3.4229	2.8400		2.0689
H7	2.4900	1.4245	2.6973	2.8400	3.4229	2.0689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.401	C1	P2	H7	97.401
P2	C1	H3	113.754	P2	C1	H4	108.828
P2	C1	H5	108.828	H3	C1	H4	108.904
H3	C1	H5	108.904	H4	C1	H5	107.436
H6	P2	H7	93.135

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.696	0.018
2	P	0.057	-0.341
3	H	0.200	-0.004
4	H	0.199	0.056
5	H	0.199	0.056
6	H	0.020	0.108
7	H	0.020	0.108

	x	y	z	Total
	-0.775	1.148	0.000	1.385
CHELPG
AIM
ESP	-0.688	1.111	0.000	1.307

<r²>	44.901
(<r²>)^1/2	6.701

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

using model chemistry: B3PW91/6-31G*

States and conformations

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