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	hartrees
Energy at 0K	-381.525508
Energy at 298.15K	-381.531228
HF Energy	-381.525508
Nuclear repulsion energy	60.029635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3265	2966	17.38
2	A	3180	2889	24.79
3	A	2521	2291	92.92
4	A	1591	1446	5.67
5	A	1455	1322	0.09
6	A	1217	1105	22.40
7	A	1082	983	48.43
8	A	790	718	1.41
9	A	727	661	7.45
10	A	3252	2955	16.74
11	A	2518	2288	128.23
12	A	1597	1451	7.17
13	A	1118	1016	20.84
14	A	744	676	3.04
15	A	243	221	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.069	1.192	0.000
P2	0.069	-0.672	0.000
H3	-0.925	1.618	0.000
H4	0.602	1.542	0.875
H5	0.602	1.542	-0.875
H6	-0.860	-0.887	-1.043
H7	-0.860	-0.887	1.043

	C1	P2	H3	H4	H5	H6	H7
C1		1.8643	1.0814	1.0832	1.0832	2.5049	2.5049
P2	1.8643		2.4964	2.4402	2.4402	1.4129	1.4129
H3	1.0814	2.4964		1.7622	1.7622	2.7142	2.7142
H4	1.0832	2.4402	1.7622		1.7505	3.4235	2.8408
H5	1.0832	2.4402	1.7622	1.7505		2.8408	3.4235
H6	2.5049	1.4129	2.7142	3.4235	2.8408		2.0852
H7	2.5049	1.4129	2.7142	2.8408	3.4235	2.0852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	98.763	C1	P2	H7	98.763
P2	C1	H3	113.176	P2	C1	H4	108.858
P2	C1	H5	108.858	H3	C1	H4	109.003
H3	C1	H5	109.003	H4	C1	H5	107.806
H6	P2	H7	95.109

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

using model chemistry: HF/TZVP

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	-0.348
2	P	0.160
3	H	0.104
4	H	0.098
5	H	0.098
6	H	-0.056
7	H	-0.056

	x	y	z	Total
	-0.702	1.038	0.000	1.253
CHELPG
AIM
ESP

	x	y	z
x	4.631	0.386	0.000
y	0.386	5.894	0.000
z	0.000	0.000	5.136

<r²>	45.116
(<r²>)^1/2	6.717

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

using model chemistry: HF/TZVP

States and conformations

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