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	hartrees
Energy at 0K	-86.902890
Energy at 298.15K	-86.910532
HF Energy	-86.902890
Nuclear repulsion energy	61.033881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3038	31.27
2	A'	3157	3034	42.06
3	A'	3052	2933	24.91
4	A'	2251	2163	126.41
5	A'	1507	1449	6.48
6	A'	1505	1447	23.92
7	A'	1379	1326	5.12
8	A'	1044	1004	39.07
9	A'	1009	970	46.51
10	A'	730	702	1.25
11	A'	626	602	1.33
12	A'	247	237	0.06
13	A'	174	167	0.27
14	A"	3160	3037	5.86
15	A"	3156	3034	7.78
16	A"	3053	2935	36.06
17	A"	1498	1440	13.33
18	A"	1493	1435	1.98
19	A"	1362	1309	7.96
20	A"	1041	1001	27.84
21	A"	878	844	2.45
22	A"	749	720	0.35
23	A"	676	650	9.53
24	A"	152	146	0.11

Atom	x (Å)	y (Å)	z (Å)
P1	-0.040	-0.688	0.000
H2	1.389	-0.944	0.000
C3	-0.040	0.548	1.461
C4	-0.040	0.548	-1.461
H5	-1.038	0.988	1.556
H6	-1.038	0.988	-1.556
H7	0.185	0.009	2.388
H8	0.185	0.009	-2.388
H9	0.694	1.351	1.328
H10	0.694	1.351	-1.328

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4511	1.9139	1.9139	2.4958	2.4958	2.4983	2.4983	2.5416	2.5416
H2	1.4511		2.5300	2.5300	3.4706	3.4706	2.8392	2.8392	2.7411	2.7411
C3	1.9139	2.5300		2.9224	1.0955	3.2087	1.0958	3.8937	1.0958	2.9935
C4	1.9139	2.5300	2.9224		3.2087	1.0955	3.8937	1.0958	2.9935	1.0958
H5	2.4958	3.4706	1.0955	3.2087		3.1123	1.7744	4.2445	1.7843	3.3835
H6	2.4958	3.4706	3.2087	1.0955	3.1123		4.2445	1.7744	3.3835	1.7843
H7	2.4983	2.8392	1.0958	3.8937	1.7744	4.2445		4.7770	1.7847	3.9837
H8	2.4983	2.8392	3.8937	1.0958	4.2445	1.7744	4.7770		3.9837	1.7847
H9	2.5416	2.7411	1.0958	2.9935	1.7843	3.3835	1.7847	3.9837		2.6554
H10	2.5416	2.7411	2.9935	1.0958	3.3835	1.7843	3.9837	1.7847	2.6554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.006	P1	C3	H7	109.177
P1	C3	H9	112.360	P1	C4	H6	109.006
P1	C4	H8	109.177	P1	C4	H10	112.360
H2	P1	C3	96.537	H2	P1	C4	96.537
C3	P1	C4	99.545	H5	C3	H7	108.142
H5	C3	H9	109.024	H6	C4	H8	108.142
H6	C4	H10	109.024	H7	C3	H9	109.041
H8	C4	H10	109.041

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3LYP/LANL2DZ

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	0.418
2	H	-0.049
3	C	-0.891
4	C	-0.891
5	H	0.239
6	H	0.239
7	H	0.235
8	H	0.235
9	H	0.233
10	H	0.233

	x	y	z	Total
	0.489	1.257	0.000	1.349
CHELPG
AIM
ESP

	x	y	z
x	5.746	-0.448	0.000
y	-0.448	6.128	0.000
z	0.000	0.000	7.695

<r²>	80.289
(<r²>)^1/2	8.960

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)