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	hartrees
Energy at 0K	-420.577054
Energy at 298.15K	-420.585005
HF Energy	-420.577054
Nuclear repulsion energy	112.998222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	2952	28.83
2	A'	3244	2948	38.18
3	A'	3169	2880	22.82
4	A'	2502	2273	126.90
5	A'	1597	1451	12.15
6	A'	1595	1449	5.45
7	A'	1460	1327	1.15
8	A'	1096	996	31.71
9	A'	1049	953	28.16
10	A'	767	697	4.19
11	A'	704	640	2.44
12	A'	273	248	0.44
13	A'	203	184	0.07
14	A"	3248	2951	11.86
15	A"	3244	2947	1.27
16	A"	3170	2880	29.31
17	A"	1589	1444	6.31
18	A"	1583	1438	3.60
19	A"	1445	1313	1.40
20	A"	1118	1016	32.32
21	A"	903	820	0.09
22	A"	781	709	0.00
23	A"	754	685	15.24
24	A"	186	169	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.659	0.000
H2	1.342	-0.968	0.000
C3	-0.038	0.526	1.434
C4	-0.038	0.526	-1.434
H5	-1.015	0.988	1.512
H6	-1.015	0.988	-1.512
H7	0.142	-0.022	2.352
H8	0.142	-0.022	-2.352
H9	0.710	1.304	1.337
H10	0.710	1.304	-1.337

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4140	1.8601	1.8601	2.4399	2.4399	2.4432	2.4432	2.4894	2.4894
H2	1.4140		2.4886	2.4886	3.4161	3.4161	2.8047	2.8047	2.7108	2.7108
C3	1.8601	2.4886		2.8686	1.0840	3.1384	1.0836	3.8298	1.0834	2.9738
C4	1.8601	2.4886	2.8686		3.1384	1.0840	3.8298	1.0836	2.9738	1.0834
H5	2.4399	3.4161	1.0840	3.1384		3.0240	1.7506	4.1579	1.7625	3.3454
H6	2.4399	3.4161	3.1384	1.0840	3.0240		4.1579	1.7506	3.3454	1.7625
H7	2.4432	2.8047	1.0836	3.8298	1.7506	4.1579		4.7037	1.7633	3.9605
H8	2.4432	2.8047	3.8298	1.0836	4.1579	1.7506	4.7037		3.9605	1.7633
H9	2.4894	2.7108	1.0834	2.9738	1.7625	3.3454	1.7633	3.9605		2.6738
H10	2.4894	2.7108	2.9738	1.0834	3.3454	1.7625	3.9605	1.7633	2.6738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.079	P1	C3	H7	109.338
P1	C3	H9	112.820	P1	C4	H6	109.079
P1	C4	H8	109.338	P1	C4	H10	112.820
H2	P1	C3	98.017	H2	P1	C4	98.017
C3	P1	C4	100.901	H5	C3	H7	107.734
H5	C3	H9	108.816	H6	C4	H8	107.734
H6	C4	H10	108.816	H7	C3	H9	108.926
H8	C4	H10	108.926

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

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	P	0.225
2	H	-0.078
3	C	-0.364
4	C	-0.364
5	H	0.093
6	H	0.093
7	H	0.104
8	H	0.104
9	H	0.094
10	H	0.094

	x	y	z	Total
	0.520	1.253	0.000	1.356
CHELPG
AIM
ESP

	x	y	z
x	6.320	-0.348	0.000
y	-0.348	6.711	0.000
z	0.000	0.000	7.868

<r²>	83.057
(<r²>)^1/2	9.114

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)