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	hartrees
Energy at 0K	-382.520839
Energy at 298.15K	-382.526424
Nuclear repulsion energy	59.938385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3124	3026	7.66
2	A	3040	2946	13.77
3	A	2373	2299	64.13
4	A	1474	1429	4.84
5	A	1328	1286	0.07
6	A	1117	1083	16.60
7	A	994	963	36.69
8	A	738	715	0.33
9	A	669	648	9.73
10	A	3110	3013	7.69
11	A	2377	2303	78.75
12	A	1480	1434	5.79
13	A	1036	1003	16.62
14	A	698	676	0.77
15	A	228	221	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.190	0.000
P2	0.070	-0.674	0.000
H3	-0.925	1.626	0.000
H4	0.610	1.539	0.879
H5	0.610	1.539	-0.879
H6	-0.884	-0.870	-1.032
H7	-0.884	-0.870	1.032

	C1	P2	H3	H4	H5	H6	H7
C1		1.8640	1.0868	1.0889	1.0889	2.4935	2.4935
P2	1.8640		2.5061	2.4412	2.4412	1.4190	1.4190
H3	1.0868	2.5061		1.7716	1.7716	2.7008	2.7008
H4	1.0889	2.4412	1.7716		1.7579	3.4181	2.8385
H5	1.0889	2.4412	1.7716	1.7579		2.8385	3.4181
H6	2.4935	1.4190	2.7008	3.4181	2.8385		2.0630
H7	2.4935	1.4190	2.7008	2.8385	3.4181	2.0630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.932	C1	P2	H7	97.932
P2	C1	H3	113.645	P2	C1	H4	108.666
P2	C1	H5	108.666	H3	C1	H4	109.024
H3	C1	H5	109.024	H4	C1	H5	107.647
H6	P2	H7	93.262

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	-1.099
2	P	0.618
3	H	0.260
4	H	0.262
5	H	0.262
6	H	-0.151
7	H	-0.151

	x	y	z	Total
	-0.527	1.024	0.000	1.152
CHELPG
AIM
ESP

	x	y	z
x	6.093	0.125	0.000
y	0.125	7.297	0.000
z	0.000	0.000	5.918

<r²>	45.072
(<r²>)^1/2	6.714

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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