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	hartrees
Energy at 0K	-421.719884
Energy at 298.15K	-421.727594
HF Energy	-421.719884
Nuclear repulsion energy	112.347226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3035	9.18
2	A'	3140	3030	18.76
3	A'	3042	2935	16.21
4	A'	2353	2271	94.71
5	A'	1446	1396	3.12
6	A'	1445	1395	11.74
7	A'	1299	1254	0.78
8	A'	998	963	27.05
9	A'	950	917	28.81
10	A'	717	691	0.55
11	A'	657	634	1.69
12	A'	251	242	0.08
13	A'	194	188	0.23
14	A"	3146	3036	3.75
15	A"	3142	3032	0.01
16	A"	3044	2937	18.62
17	A"	1437	1387	7.83
18	A"	1432	1382	2.52
19	A"	1282	1237	0.44
20	A"	1015	979	25.55
21	A"	816	787	1.26
22	A"	724	699	5.71
23	A"	701	677	11.55
24	A"	183	177	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.666	0.000
H2	1.373	-0.932	0.000
C3	-0.038	0.529	1.432
C4	-0.038	0.529	-1.432
H5	-1.039	0.979	1.519
H6	-1.039	0.979	-1.519
H7	0.159	-0.026	2.363
H8	0.159	-0.026	-2.363
H9	0.706	1.334	1.330
H10	0.706	1.334	-1.330

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4362	1.8647	1.8647	2.4526	2.4526	2.4556	2.4556	2.5142	2.5142
H2	1.4362		2.4853	2.4853	3.4324	3.4324	2.8066	2.8066	2.7112	2.7112
C3	1.8647	2.4853		2.8641	1.1014	3.1491	1.1009	3.8399	1.1012	2.9716
C4	1.8647	2.4853	2.8641		3.1491	1.1014	3.8399	1.1009	2.9716	1.1012
H5	2.4526	3.4324	1.1014	3.1491		3.0389	1.7766	4.1851	1.7913	3.3603
H6	2.4526	3.4324	3.1491	1.1014	3.0389		4.1851	1.7766	3.3603	1.7913
H7	2.4556	2.8066	1.1009	3.8399	1.7766	4.1851		4.7251	1.7928	3.9727
H8	2.4556	2.8066	3.8399	1.1009	4.1851	1.7766	4.7251		3.9727	1.7928
H9	2.5142	2.7112	1.1012	2.9716	1.7913	3.3603	1.7928	3.9727		2.6599
H10	2.5142	2.7112	2.9716	1.1012	3.3603	1.7913	3.9727	1.7928	2.6599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.820	P1	C3	H7	109.062
P1	C3	H9	113.407	P1	C4	H6	108.820
P1	C4	H8	109.062	P1	C4	H10	113.407
H2	P1	C3	96.830	H2	P1	C4	96.830
C3	P1	C4	100.347	H5	C3	H7	107.549
H5	C3	H9	108.833	H6	C4	H8	107.549
H6	C4	H10	108.833	H7	C3	H9	109.008
H8	C4	H10	109.008

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3PW91/cc-pVDZ

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	0.069
2	H	-0.003
3	C	-0.239
4	C	-0.239
5	H	0.071
6	H	0.071
7	H	0.071
8	H	0.071
9	H	0.064
10	H	0.064

	x	y	z	Total
	0.411	1.190	0.000	1.259
CHELPG
AIM
ESP

	x	y	z
x	6.188	-0.401	0.000
y	-0.401	6.534	0.000
z	0.000	0.000	7.898

<r²>	83.000
(<r²>)^1/2	9.110

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)