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	hartrees
Energy at 0K	-21.329080
Energy at 298.15K	-21.336966
HF Energy	-21.329080
Nuclear repulsion energy	43.575443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	2986	31.60
2	A'	3266	2980	54.97
3	A'	3157	2881	37.00
4	A'	2389	2180	149.51
5	A'	1614	1473	16.59
6	A'	1612	1471	8.44
7	A'	1481	1351	1.59
8	A'	1109	1012	35.14
9	A'	1080	986	43.06
10	A'	758	692	5.78
11	A'	673	614	1.41
12	A'	262	239	0.31
13	A'	181	165	0.19
14	A"	3271	2985	13.92
15	A"	3265	2979	4.26
16	A"	3156	2880	49.55
17	A"	1604	1464	10.93
18	A"	1603	1462	0.78
19	A"	1463	1335	2.46
20	A"	1116	1018	33.52
21	A"	943	860	0.09
22	A"	796	727	0.70
23	A"	731	667	11.24
24	A"	168	154	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.675	0.000
H2	1.366	-0.996	0.000
C3	-0.039	0.541	1.465
C4	-0.039	0.541	-1.465
H5	-1.017	1.004	1.535
H6	-1.017	1.004	-1.535
H7	0.145	-0.007	2.382
H8	0.145	-0.007	-2.382
H9	0.714	1.314	1.355
H10	0.714	1.314	-1.355

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4408	1.9037	1.9037	2.4760	2.4760	2.4805	2.4805	2.5214	2.5214
H2	1.4408		2.5456	2.5456	3.4686	3.4686	2.8534	2.8534	2.7558	2.7558
C3	1.9037	2.5456		2.9299	1.0843	3.1890	1.0841	3.8902	1.0846	3.0193
C4	1.9037	2.5456	2.9299		3.1890	1.0843	3.8902	1.0841	3.0193	1.0846
H5	2.4760	3.4686	1.0843	3.1890		3.0697	1.7576	4.2087	1.7674	3.3826
H6	2.4760	3.4686	3.1890	1.0843	3.0697		4.2087	1.7576	3.3826	1.7674
H7	2.4805	2.8534	1.0841	3.8902	1.7576	4.2087		4.7640	1.7677	4.0043
H8	2.4805	2.8534	3.8902	1.0841	4.2087	1.7576	4.7640		4.0043	1.7677
H9	2.5214	2.7558	1.0846	3.0193	1.7674	3.3826	1.7677	4.0043		2.7098
H10	2.5214	2.7558	3.0193	1.0846	3.3826	1.7674	4.0043	1.7677	2.7098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.810	P1	C3	H7	109.149
P1	C3	H9	112.151	P1	C4	H6	108.810
P1	C4	H8	109.149	P1	C4	H10	112.151
H2	P1	C3	98.177	H2	P1	C4	98.177
C3	P1	C4	100.625	H5	C3	H7	108.305
H5	C3	H9	109.151	H6	C4	H8	108.305
H6	C4	H10	109.151	H7	C3	H9	109.197
H8	C4	H10	109.197

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: HF/CEP-121G

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	0.438
2	H	-0.033
3	C	-0.722
4	C	-0.722
5	H	0.176
6	H	0.176
7	H	0.176
8	H	0.176
9	H	0.169
10	H	0.169

	x	y	z	Total
	0.651	1.432	0.000	1.573
CHELPG
AIM
ESP

	x	y	z
x	6.226	-0.488	0.000
y	-0.488	6.558	0.000
z	0.000	0.000	7.890

<r²>	70.722
(<r²>)^1/2	8.410

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)