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	hartrees
Energy at 0K	-421.553488
Energy at 298.15K	-421.561232
HF Energy	-421.553488
Nuclear repulsion energy	112.899666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3024	10.63
2	A'	3162	3018	21.85
3	A'	3067	2927	15.77
4	A'	2395	2285	109.00
5	A'	1488	1420	2.38
6	A'	1487	1419	15.40
7	A'	1347	1285	1.69
8	A'	1023	976	36.13
9	A'	980	935	38.15
10	A'	727	693	1.62
11	A'	670	640	1.24
12	A'	253	242	0.12
13	A'	193	184	0.25
14	A"	3170	3025	4.65
15	A"	3164	3019	0.03
16	A"	3069	2929	14.37
17	A"	1478	1411	10.13
18	A"	1473	1406	2.51
19	A"	1330	1269	3.07
20	A"	1036	989	29.27
21	A"	838	800	0.91
22	A"	737	704	6.67
23	A"	715	682	8.08
24	A"	182	174	0.04

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.664	0.000
H2	1.361	-0.936	0.000
C3	-0.038	0.527	1.425
C4	-0.038	0.527	-1.425
H5	-1.031	0.976	1.512
H6	-1.031	0.976	-1.512
H7	0.159	-0.017	2.352
H8	0.159	-0.017	-2.352
H9	0.701	1.327	1.319
H10	0.701	1.327	-1.319

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4251	1.8572	1.8572	2.4425	2.4425	2.4474	2.4474	2.5005	2.5005
H2	1.4251		2.4754	2.4754	3.4158	3.4158	2.7965	2.7965	2.7018	2.7018
C3	1.8572	2.4754		2.8493	1.0938	3.1329	1.0934	3.8208	1.0938	2.9521
C4	1.8572	2.4754	2.8493		3.1329	1.0938	3.8208	1.0934	2.9521	1.0938
H5	2.4425	3.4158	1.0938	3.1329		3.0248	1.7635	4.1640	1.7775	3.3379
H6	2.4425	3.4158	3.1329	1.0938	3.0248		4.1640	1.7635	3.3379	1.7775
H7	2.4474	2.7965	1.0934	3.8208	1.7635	4.1640		4.7042	1.7796	3.9472
H8	2.4474	2.7965	3.8208	1.0934	4.1640	1.7635	4.7042		3.9472	1.7796
H9	2.5005	2.7018	1.0938	2.9521	1.7775	3.3379	1.7796	3.9472		2.6389
H10	2.5005	2.7018	2.9521	1.0938	3.3379	1.7775	3.9472	1.7796	2.6389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.964	P1	C3	H7	109.341
P1	C3	H9	113.297	P1	C4	H6	108.964
P1	C4	H8	109.341	P1	C4	H10	113.297
H2	P1	C3	97.025	H2	P1	C4	97.025
C3	P1	C4	100.183	H5	C3	H7	107.470
H5	C3	H9	108.695	H6	C4	H8	107.470
H6	C4	H10	108.695	H7	C3	H9	108.910
H8	C4	H10	108.910

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: HSEh1PBE/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	0.267
2	H	-0.026
3	C	-0.582
4	C	-0.582
5	H	0.154
6	H	0.154
7	H	0.157
8	H	0.157
9	H	0.150
10	H	0.150

	x	y	z	Total
	0.509	1.375	0.000	1.466
CHELPG
AIM
ESP

	x	y	z
x	5.848	-0.346	0.000
y	-0.346	6.237	0.000
z	0.000	0.000	7.352

<r²>	82.338
(<r²>)^1/2	9.074

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)