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	hartrees
Energy at 0K	-382.430330
Energy at 298.15K	-382.435941
HF Energy	-382.430330
Nuclear repulsion energy	59.875974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3028	8.80
2	A'	3079	2933	18.31
3	A'	2400	2286	89.98
4	A'	1486	1416	7.75
5	A'	1354	1290	1.42
6	A'	1147	1092	15.35
7	A'	1009	961	50.49
8	A'	753	717	1.00
9	A'	693	660	8.40
10	A"	3167	3017	8.74
11	A"	2408	2294	108.06
12	A"	1485	1414	9.72
13	A"	1049	1000	22.30
14	A"	705	672	1.36
15	A"	226	215	2.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.188	0.000
P2	0.070	-0.674	0.000
H3	-0.930	1.626	0.000
H4	0.610	1.541	0.882
H5	0.610	1.541	-0.882
H6	-0.880	-0.862	-1.037
H7	-0.880	-0.862	1.037

	C1	P2	H3	H4	H5	H6	H7
C1		1.8618	1.0922	1.0930	1.0930	2.4861	2.4861
P2	1.8618		2.5083	2.4445	2.4445	1.4189	1.4189
H3	1.0922	2.5083		1.7774	1.7774	2.6964	2.6964
H4	1.0930	2.4445	1.7774		1.7643	3.4175	2.8321
H5	1.0930	2.4445	1.7774	1.7643		2.8321	3.4175
H6	2.4861	1.4189	2.6964	3.4175	2.8321		2.0737
H7	2.4861	1.4189	2.6964	2.8321	3.4175	2.0737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.631	C1	P2	H7	97.631
P2	C1	H3	113.668	P2	C1	H4	108.843
P2	C1	H5	108.843	H3	C1	H4	108.851
H3	C1	H5	108.851	H4	C1	H5	107.615
H6	P2	H7	93.899

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

using model chemistry: wB97X-D/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	-0.641
2	P	0.123
3	H	0.186
4	H	0.184
5	H	0.184
6	H	-0.018
7	H	-0.018

	x	y	z	Total
	-0.775	1.095	0.000	1.341
CHELPG
AIM
ESP

	x	y	z
x	4.912	0.259	0.000
y	0.259	6.031	0.000
z	0.000	0.000	5.035

<r²>	45.035
(<r²>)^1/2	6.711

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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