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	hartrees
Energy at 0K	-421.484649
Energy at 298.15K	-421.492260
HF Energy	-421.484649
Nuclear repulsion energy	112.348368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3076	3044	9.73
2	A'	3069	3037	18.78
3	A'	2979	2948	14.10
4	A'	2291	2267	82.57
5	A'	1428	1413	3.29
6	A'	1426	1412	7.09
7	A'	1272	1258	0.28
8	A'	977	967	27.39
9	A'	929	920	30.15
10	A'	698	691	0.56
11	A'	640	633	1.44
12	A'	242	240	0.02
13	A'	187	185	0.32
14	A"	3076	3045	3.77
15	A"	3071	3039	0.00
16	A"	2981	2951	12.99
17	A"	1418	1403	6.76
18	A"	1412	1397	2.16
19	A"	1255	1242	0.03
20	A"	990	980	24.36
21	A"	794	786	1.01
22	A"	705	697	7.20
23	A"	682	675	7.84
24	A"	180	178	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.668	0.000
H2	1.376	-0.924	0.000
C3	-0.038	0.530	1.430
C4	-0.038	0.530	-1.430
H5	-1.042	0.975	1.518
H6	-1.042	0.975	-1.518
H7	0.165	-0.019	2.362
H8	0.165	-0.019	-2.362
H9	0.701	1.339	1.320
H10	0.701	1.339	-1.320

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4369	1.8656	1.8656	2.4524	2.4524	2.4579	2.4579	2.5135	2.5135
H2	1.4369		2.4816	2.4816	3.4290	3.4290	2.8041	2.8041	2.7057	2.7057
C3	1.8656	2.4816		2.8593	1.1014	3.1459	1.1008	3.8364	1.1011	2.9597
C4	1.8656	2.4816	2.8593		3.1459	1.1014	3.8364	1.1008	2.9597	1.1011
H5	2.4524	3.4290	1.1014	3.1459		3.0370	1.7767	4.1836	1.7910	3.3502
H6	2.4524	3.4290	3.1459	1.1014	3.0370		4.1836	1.7767	3.3502	1.7910
H7	2.4579	2.8041	1.1008	3.8364	1.7767	4.1836		4.7236	1.7936	3.9604
H8	2.4579	2.8041	3.8364	1.1008	4.1836	1.7767	4.7236		3.9604	1.7936
H9	2.5135	2.7057	1.1011	2.9597	1.7910	3.3502	1.7936	3.9604		2.6395
H10	2.5135	2.7057	2.9597	1.1011	3.3502	1.7910	3.9604	1.7936	2.6395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.750	P1	C3	H7	109.174
P1	C3	H9	113.299	P1	C4	H6	108.750
P1	C4	H8	109.174	P1	C4	H10	113.299
H2	P1	C3	96.570	H2	P1	C4	96.570
C3	P1	C4	100.051	H5	C3	H7	107.559
H5	C3	H9	108.814	H6	C4	H8	107.559
H6	C4	H10	108.814	H7	C3	H9	109.086
H8	C4	H10	109.086

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.086
2	H	0.065
3	C	-0.419
4	C	-0.419
5	H	0.143
6	H	0.143
7	H	0.149
8	H	0.149
9	H	0.138
10	H	0.138

	x	y	z	Total
	0.447	1.389	0.000	1.460
CHELPG
AIM
ESP

	x	y	z
x	6.183	-0.243	0.000
y	-0.243	6.748	0.000
z	0.000	0.000	7.919

<r²>	82.800
(<r²>)^1/2	9.099

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)