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	hartrees
Energy at 0K	-382.476007
Energy at 298.15K	-382.481587
Nuclear repulsion energy	59.372939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3139	3044	8.73
2	A	3042	2951	16.00
3	A	2351	2281	73.88
4	A	1447	1404	4.39
5	A	1299	1260	0.31
6	A	1103	1069	16.47
7	A	985	956	38.34
8	A	735	713	0.15
9	A	663	643	8.67
10	A	3127	3033	7.98
11	A	2360	2290	98.14
12	A	1450	1406	5.50
13	A	1024	993	17.02
14	A	693	672	0.24
15	A	236	229	1.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.199	0.000
P2	0.071	-0.680	0.000
H3	-0.935	1.642	0.000
H4	0.618	1.550	0.889
H5	0.618	1.550	-0.889
H6	-0.900	-0.865	-1.041
H7	-0.900	-0.865	1.041

	C1	P2	H3	H4	H5	H6	H7
C1		1.8796	1.0994	1.1012	1.1012	2.5079	2.5079
P2	1.8796		2.5310	2.4623	2.4623	1.4361	1.4361
H3	1.0994	2.5310		1.7923	1.7923	2.7149	2.7149
H4	1.1012	2.4623	1.7923		1.7782	3.4445	2.8569
H5	1.1012	2.4623	1.7923	1.7782		2.8569	3.4445
H6	2.5079	1.4361	2.7149	3.4445	2.8569		2.0822
H7	2.5079	1.4361	2.7149	2.8569	3.4445	2.0822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.394	C1	P2	H7	97.394
P2	C1	H3	113.749	P2	C1	H4	108.561
P2	C1	H5	108.561	H3	C1	H4	109.060
H3	C1	H5	109.060	H4	C1	H5	107.681
H6	P2	H7	92.933

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

using model chemistry: B3LYP/cc-pVDZ

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	-0.181
2	P	0.068
3	H	0.049
4	H	0.051
5	H	0.051
6	H	-0.019
7	H	-0.019

	x	y	z	Total
	-0.550	0.951	0.000	1.098
CHELPG
AIM
ESP

	x	y	z
x	4.684	0.442	0.000
y	0.442	5.803	0.000
z	0.000	0.000	5.043

<r²>	45.396
(<r²>)^1/2	6.738

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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