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	hartrees
Energy at 0K	-420.526107
Energy at 298.15K	-420.534083
HF Energy	-420.526107
Nuclear repulsion energy	113.195791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	2951	28.45
2	A'	3280	2947	37.68
3	A'	3205	2880	21.19
4	A'	2570	2309	156.08
5	A'	1624	1459	11.73
6	A'	1623	1459	3.16
7	A'	1496	1344	0.95
8	A'	1116	1003	41.49
9	A'	1070	961	33.37
10	A'	778	699	4.51
11	A'	715	642	2.26
12	A'	277	249	0.39
13	A'	206	185	0.07
14	A"	3284	2951	11.99
15	A"	3279	2946	1.21
16	A"	3205	2880	27.77
17	A"	1617	1452	6.65
18	A"	1610	1447	3.11
19	A"	1480	1330	1.26
20	A"	1137	1022	37.73
21	A"	921	827	0.23
22	A"	794	713	0.05
23	A"	767	689	14.83
24	A"	194	175	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.037	-0.659	0.000
H2	1.333	-0.965	0.000
C3	-0.037	0.524	1.429
C4	-0.037	0.524	-1.429
H5	-1.013	0.992	1.508
H6	-1.013	0.992	-1.508
H7	0.141	-0.017	2.352
H8	0.141	-0.017	-2.352
H9	0.711	1.304	1.333
H10	0.711	1.304	-1.333

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4047	1.8555	1.8555	2.4404	2.4404	2.4445	2.4445	2.4878	2.4878
H2	1.4047		2.4782	2.4782	3.4083	3.4083	2.8022	2.8022	2.7044	2.7044
C3	1.8555	2.4782		2.8581	1.0852	3.1306	1.0847	3.8237	1.0846	2.9657
C4	1.8555	2.4782	2.8581		3.1306	1.0852	3.8237	1.0847	2.9657	1.0846
H5	2.4404	3.4083	1.0852	3.1306		3.0169	1.7503	4.1538	1.7607	3.3380
H6	2.4404	3.4083	3.1306	1.0852	3.0169		4.1538	1.7503	3.3380	1.7607
H7	2.4445	2.8022	1.0847	3.8237	1.7503	4.1538		4.7037	1.7626	3.9554
H8	2.4445	2.8022	3.8237	1.0847	4.1538	1.7503	4.7037		3.9554	1.7626
H9	2.4878	2.7044	1.0846	2.9657	1.7607	3.3380	1.7626	3.9554		2.6657
H10	2.4878	2.7044	2.9657	1.0846	3.3380	1.7607	3.9554	1.7626	2.6657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.356	P1	C3	H7	109.685
P1	C3	H9	112.954	P1	C4	H6	109.356
P1	C4	H8	109.685	P1	C4	H10	112.954
H2	P1	C3	97.997	H2	P1	C4	97.997
C3	P1	C4	100.736	H5	C3	H7	107.531
H5	C3	H9	108.478	H6	C4	H8	107.531
H6	C4	H10	108.478	H7	C3	H9	108.684
H8	C4	H10	108.684

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: HF/6-31G*

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	0.380
2	H	-0.049
3	C	-0.714
4	C	-0.714
5	H	0.182
6	H	0.182
7	H	0.186
8	H	0.186
9	H	0.180
10	H	0.180

	x	y	z	Total
	0.517	1.275	0.000	1.376
CHELPG
AIM
ESP

	x	y	z
x	5.627	-0.429	0.000
y	-0.429	5.930	0.000
z	0.000	0.000	7.005

<r²>	82.712
(<r²>)^1/2	9.095

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)