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	hartrees
Energy at 0K	-421.608512
Energy at 298.15K	-421.616245
HF Energy	-421.608512
Nuclear repulsion energy	113.269360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3017	10.64
2	A'	3132	3010	20.70
3	A'	3047	2928	15.97
4	A'	2373	2280	84.16
5	A'	1469	1412	8.29
6	A'	1468	1411	6.94
7	A'	1320	1269	2.22
8	A'	1007	968	25.12
9	A'	962	925	27.26
10	A'	716	688	1.15
11	A'	667	641	1.92
12	A'	251	241	0.13
13	A'	190	183	0.20
14	A"	3140	3018	4.42
15	A"	3134	3012	0.07
16	A"	3049	2931	14.70
17	A"	1461	1404	6.94
18	A"	1455	1398	3.17
19	A"	1305	1254	1.96
20	A"	1024	984	23.87
21	A"	826	794	0.75
22	A"	731	703	9.73
23	A"	709	681	7.42
24	A"	181	173	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.661	0.000
H2	1.360	-0.934	0.000
C3	-0.038	0.525	1.421
C4	-0.038	0.525	-1.421
H5	-1.028	0.975	1.503
H6	-1.028	0.975	-1.503
H7	0.156	-0.020	2.345
H8	0.156	-0.020	-2.345
H9	0.702	1.319	1.314
H10	0.702	1.319	-1.314

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4242	1.8506	1.8506	2.4326	2.4326	2.4384	2.4384	2.4892	2.4892
H2	1.4242		2.4698	2.4698	3.4069	3.4069	2.7898	2.7898	2.6899	2.6899
C3	1.8506	2.4698		2.8412	1.0910	3.1198	1.0905	3.8096	1.0907	2.9423
C4	1.8506	2.4698	2.8412		3.1198	1.0910	3.8096	1.0905	2.9423	1.0907
H5	2.4326	3.4069	1.0910	3.1198		3.0069	1.7607	4.1474	1.7746	3.3245
H6	2.4326	3.4069	3.1198	1.0910	3.0069		4.1474	1.7607	3.3245	1.7746
H7	2.4384	2.7898	1.0905	3.8096	1.7607	4.1474		4.6896	1.7766	3.9347
H8	2.4384	2.7898	3.8096	1.0905	4.1474	1.7607	4.6896		3.9347	1.7766
H9	2.4892	2.6899	1.0907	2.9423	1.7746	3.3245	1.7766	3.9347		2.6283
H10	2.4892	2.6899	2.9423	1.0907	3.3245	1.7746	3.9347	1.7766	2.6283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.814	P1	C3	H7	109.264
P1	C3	H9	113.064	P1	C4	H6	108.814
P1	C4	H8	109.264	P1	C4	H10	113.064
H2	P1	C3	97.047	H2	P1	C4	97.047
C3	P1	C4	100.282	H5	C3	H7	107.626
H5	C3	H9	108.856	H6	C4	H8	107.626
H6	C4	H10	108.856	H7	C3	H9	109.073
H8	C4	H10	109.073

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.048
2	H	0.010
3	C	-0.344
4	C	-0.344
5	H	0.105
6	H	0.105
7	H	0.109
8	H	0.109
9	H	0.100
10	H	0.100

	x	y	z	Total
	0.414	1.251	0.000	1.318
CHELPG
AIM
ESP

	x	y	z
x	6.761	-0.250	0.000
y	-0.250	7.355	0.000
z	0.000	0.000	8.593

<r²>	82.107
(<r²>)^1/2	9.061

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)