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	hartrees
Energy at 0K	-419.482276
Energy at 298.15K	-419.490125
HF Energy	-419.482276
Nuclear repulsion energy	113.053368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3019	12.73
2	A'	3141	3015	16.80
3	A'	3056	2934	14.04
4	A'	2418	2321	90.47
5	A'	1545	1483	8.07
6	A'	1542	1480	20.14
7	A'	1400	1344	6.09
8	A'	1061	1018	43.10
9	A'	1016	975	45.90
10	A'	755	725	0.79
11	A'	681	654	1.49
12	A'	262	252	0.10
13	A'	197	189	0.30
14	A"	3146	3020	3.96
15	A"	3142	3016	0.31
16	A"	3058	2936	13.47
17	A"	1533	1472	17.70
18	A"	1530	1468	0.07
19	A"	1384	1329	12.24
20	A"	1070	1027	27.43
21	A"	875	840	2.84
22	A"	768	737	1.18
23	A"	728	699	14.14
24	A"	189	181	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.670	0.000
H2	1.366	-0.907	0.000
C3	-0.038	0.529	1.415
C4	-0.038	0.529	-1.415
H5	-1.035	0.977	1.508
H6	-1.035	0.977	-1.508
H7	0.174	-0.006	2.348
H8	0.174	-0.006	-2.348
H9	0.697	1.332	1.290
H10	0.697	1.332	-1.290

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4238	1.8550	1.8550	2.4453	2.4453	2.4494	2.4494	2.4928	2.4928
H2	1.4238		2.4568	2.4568	3.4037	3.4037	2.7828	2.7828	2.6690	2.6690
C3	1.8550	2.4568		2.8299	1.0966	3.1202	1.0963	3.8066	1.0960	2.9156
C4	1.8550	2.4568	2.8299		3.1202	1.0966	3.8066	1.0963	2.9156	1.0960
H5	2.4453	3.4037	1.0966	3.1202		3.0154	1.7703	4.1586	1.7817	3.3094
H6	2.4453	3.4037	3.1202	1.0966	3.0154		4.1586	1.7703	3.3094	1.7817
H7	2.4494	2.7828	1.0963	3.8066	1.7703	4.1586		4.6958	1.7840	3.9109
H8	2.4494	2.7828	3.8066	1.0963	4.1586	1.7703	4.6958		3.9109	1.7840
H9	2.4928	2.6690	1.0960	2.9156	1.7817	3.3094	1.7840	3.9109		2.5794
H10	2.4928	2.6690	2.9156	1.0960	3.3094	1.7817	3.9109	1.7840	2.5794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.174	P1	C3	H7	109.490
P1	C3	H9	112.741	P1	C4	H6	109.174
P1	C4	H8	109.490	P1	C4	H10	112.741
H2	P1	C3	96.170	H2	P1	C4	96.170
C3	P1	C4	99.421	H5	C3	H7	107.672
H5	C3	H9	108.701	H6	C4	H8	107.672
H6	C4	H10	108.701	H7	C3	H9	108.933
H8	C4	H10	108.933

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: HSEh1PBE/3-21G*

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	0.342
2	H	0.035
3	C	-0.869
4	C	-0.869
5	H	0.226
6	H	0.226
7	H	0.231
8	H	0.231
9	H	0.223
10	H	0.223

	x	y	z	Total
	0.483	1.328	0.000	1.413
CHELPG
AIM
ESP

	x	y	z
x	5.501	-0.384	0.000
y	-0.384	5.711	0.000
z	0.000	0.000	6.816

<r²>	82.024
(<r²>)^1/2	9.057

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)