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	hartrees
Energy at 0K	-15.136216
Energy at 298.15K	-15.141754
Nuclear repulsion energy	21.876597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3121	3041	22.32
2	A	3011	2934	32.24
3	A	2218	2162	134.01
4	A	1500	1462	10.29
5	A	1358	1323	0.51
6	A	1107	1078	15.73
7	A	998	973	55.56
8	A	728	709	1.21
9	A	636	620	5.33
10	A	3117	3037	21.98
11	A	2250	2193	142.05
12	A	1501	1462	10.30
13	A	1035	1009	19.96
14	A	702	684	2.13
15	A	201	196	3.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.136	0.912	0.000
P2	0.136	-1.021	0.000
H3	-0.872	1.338	0.000
H4	0.676	1.258	0.887
H5	0.676	1.258	-0.887
H6	-0.850	-1.200	-1.068
H7	-0.850	-1.200	1.068

	C1	P2	H3	H4	H5	H6	H7
C1		1.9331	1.0942	1.0951	1.0951	2.5638	2.5638
P2	1.9331		2.5652	2.5049	2.5049	1.4639	1.4639
H3	1.0942	2.5652		1.7862	1.7862	2.7537	2.7537
H4	1.0951	2.5049	1.7862		1.7747	3.4920	2.8991
H5	1.0951	2.5049	1.7862	1.7747		2.8991	3.4920
H6	2.5638	1.4639	2.7537	3.4920	2.8991		2.1351
H7	2.5638	1.4639	2.7537	2.8991	3.4920	2.1351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.034	C1	P2	H7	97.034
P2	C1	H3	112.905	P2	C1	H4	108.428
P2	C1	H5	108.428	H3	C1	H4	109.359
H3	C1	H5	109.359	H4	C1	H5	108.252
H6	P2	H7	93.650

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	-0.708
2	P	0.191
3	H	0.182
4	H	0.183
5	H	0.183
6	H	-0.016
7	H	-0.016

	x	y	z	Total
	-0.882	1.117	0.000	1.423
CHELPG
AIM
ESP

	x	y	z
x	4.842	0.430	0.000
y	0.430	6.145	0.000
z	0.000	0.000	5.258

<r²>	37.203
(<r²>)^1/2	6.099

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)