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	hartrees
Energy at 0K	-421.590068
Energy at 298.15K
HF Energy	-421.412468
Nuclear repulsion energy	112.960557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3143	16.82
2	A'	3139	3139	31.47
3	A'	3058	3058	22.58
4	A'	2375	2375	107.38
5	A'	1516	1516	7.48
6	A'	1514	1514	13.24
7	A'	1384	1384	1.71
8	A'	1043	1043	48.10
9	A'	998	998	40.47
10	A'	737	737	2.70
11	A'	670	670	2.64
12	A'	263	263	0.51
13	A'	195	195	0.22
14	A"	3143	3143	8.19
15	A"	3140	3140	0.40
16	A"	3060	3060	21.60
17	A"	1505	1505	12.25
18	A"	1500	1500	1.05
19	A"	1366	1366	4.04
20	A"	1052	1052	32.61
21	A"	860	860	0.67
22	A"	740	740	0.69
23	A"	715	715	15.43
24	A"	184	184	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.668	0.000
H2	1.358	-0.934	0.000
C3	-0.038	0.529	1.422
C4	-0.038	0.529	-1.422
H5	-1.026	0.982	1.510
H6	-1.026	0.982	-1.510
H7	0.158	-0.007	2.351
H8	0.158	-0.007	-2.351
H9	0.701	1.325	1.315
H10	0.701	1.325	-1.315

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4215	1.8581	1.8581	2.4453	2.4453	2.4499	2.4499	2.4993	2.4993
H2	1.4215		2.4722	2.4722	3.4119	3.4119	2.7977	2.7977	2.6961	2.6961
C3	1.8581	2.4722		2.8432	1.0911	3.1269	1.0909	3.8157	1.0911	2.9446
C4	1.8581	2.4722	2.8432		3.1269	1.0911	3.8157	1.0909	2.9446	1.0911
H5	2.4453	3.4119	1.0911	3.1269		3.0201	1.7580	4.1583	1.7715	3.3293
H6	2.4453	3.4119	3.1269	1.0911	3.0201		4.1583	1.7580	3.3293	1.7715
H7	2.4499	2.7977	1.0909	3.8157	1.7580	4.1583		4.7022	1.7726	3.9387
H8	2.4499	2.7977	3.8157	1.0909	4.1583	1.7580	4.7022		3.9387	1.7726
H9	2.4993	2.6961	1.0911	2.9446	1.7715	3.3293	1.7726	3.9387		2.6310
H10	2.4993	2.6961	2.9446	1.0911	3.3293	1.7715	3.9387	1.7726	2.6310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.242	P1	C3	H7	109.593
P1	C3	H9	113.295	P1	C4	H6	109.242
P1	C4	H8	109.593	P1	C4	H10	113.295
H2	P1	C3	96.946	H2	P1	C4	96.946
C3	P1	C4	99.830	H5	C3	H7	107.350
H5	C3	H9	108.538	H6	C4	H8	107.350
H6	C4	H10	108.538	H7	C3	H9	108.646
H8	C4	H10	108.646

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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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All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)