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	hartrees
Energy at 0K	-381.537118
Energy at 298.15K	-381.542839
HF Energy	-381.537118
Nuclear repulsion energy	60.342830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	2951	15.47
2	A'	3172	2875	20.17
3	A'	2519	2283	79.13
4	A'	1586	1437	4.39
5	A'	1450	1314	0.09
6	A'	1215	1101	22.84
7	A'	1080	979	43.04
8	A'	788	715	0.90
9	A'	730	661	8.88
10	A"	3240	2937	15.14
11	A"	2515	2280	112.54
12	A"	1594	1445	5.53
13	A"	1117	1012	21.23
14	A"	740	671	2.28
15	A"	249	225	1.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.068	1.184	0.000
P2	0.068	-0.667	0.000
H3	-0.925	1.608	0.000
H4	0.601	1.535	0.875
H5	0.601	1.535	-0.875
H6	-0.855	-0.886	-1.038
H7	-0.855	-0.886	1.038

	C1	P2	H3	H4	H5	H6	H7
C1		1.8511	1.0805	1.0827	1.0827	2.4929	2.4929
P2	1.8511		2.4832	2.4286	2.4286	1.4062	1.4062
H3	1.0805	2.4832		1.7609	1.7609	2.7027	2.7027
H4	1.0827	2.4286	1.7609		1.7493	3.4116	2.8301
H5	1.0827	2.4286	1.7609	1.7493		2.8301	3.4116
H6	2.4929	1.4062	2.7027	3.4116	2.8301		2.0750
H7	2.4929	1.4062	2.7027	2.8301	3.4116	2.0750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	98.957	C1	P2	H7	98.957
P2	C1	H3	113.141	P2	C1	H4	108.916
P2	C1	H5	108.916	H3	C1	H4	108.979
H3	C1	H5	108.979	H4	C1	H5	107.773
H6	P2	H7	95.087

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

using model chemistry: HF/Def2TZVPP

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	-0.278
2	P	0.097
3	H	0.078
4	H	0.080
5	H	0.080
6	H	-0.029
7	H	-0.029

	x	y	z	Total
	-0.654	1.078	0.000	1.261
CHELPG
AIM
ESP

	x	y	z
x	5.061	0.269	0.000
y	0.269	6.296	0.000
z	0.000	0.000	5.326

<r²>	44.714
(<r²>)^1/2	6.687

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

using model chemistry: HF/Def2TZVPP

States and conformations

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