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	hartrees
Energy at 0K	-419.614091
Energy at 298.15K	-419.621787
HF Energy	-419.614091
Nuclear repulsion energy	110.438225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3041	11.40
2	A'	3150	3039	21.40
3	A'	3064	2956	16.18
4	A'	2206	2128	115.13
5	A'	1551	1496	9.16
6	A'	1545	1491	14.83
7	A'	1387	1338	1.13
8	A'	1045	1008	32.58
9	A'	1004	969	42.11
10	A'	735	710	2.76
11	A'	614	592	0.58
12	A'	245	237	0.15
13	A'	179	173	0.14
14	A"	3151	3041	4.71
15	A"	3150	3039	1.56
16	A"	3065	2958	16.50
17	A"	1539	1485	14.78
18	A"	1535	1481	0.89
19	A"	1368	1320	1.33
20	A"	1047	1010	24.31
21	A"	878	847	1.29
22	A"	759	732	0.12
23	A"	661	637	6.56
24	A"	171	165	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.040	-0.698	0.000
H2	1.393	-0.919	0.000
C3	-0.040	0.556	1.457
C4	-0.040	0.556	-1.457
H5	-1.040	0.988	1.541
H6	-1.040	0.988	-1.541
H7	0.188	0.018	2.381
H8	0.188	0.018	-2.381
H9	0.692	1.353	1.304
H10	0.692	1.353	-1.304

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4495	1.9219	1.9219	2.4936	2.4936	2.4970	2.4970	2.5385	2.5385
H2	1.4495		2.5196	2.5196	3.4540	3.4540	2.8283	2.8283	2.7118	2.7118
C3	1.9219	2.5196		2.9135	1.0932	3.1895	1.0932	3.8820	1.0934	2.9652
C4	1.9219	2.5196	2.9135		3.1895	1.0932	3.8820	1.0932	2.9652	1.0934
H5	2.4936	3.4540	1.0932	3.1895		3.0815	1.7765	4.2226	1.7863	3.3505
H6	2.4936	3.4540	3.1895	1.0932	3.0815		4.2226	1.7765	3.3505	1.7863
H7	2.4970	2.8283	1.0932	3.8820	1.7765	4.2226		4.7622	1.7880	3.9515
H8	2.4970	2.8283	3.8820	1.0932	4.2226	1.7765	4.7622		3.9515	1.7880
H9	2.5385	2.7118	1.0934	2.9652	1.7863	3.3505	1.7880	3.9515		2.6075
H10	2.5385	2.7118	2.9652	1.0934	3.3505	1.7863	3.9515	1.7880	2.6075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.437	P1	C3	H7	108.680
P1	C3	H9	111.710	P1	C4	H6	108.437
P1	C4	H8	108.680	P1	C4	H10	111.710
H2	P1	C3	95.702	H2	P1	C4	95.702
C3	P1	C4	98.567	H5	C3	H7	108.680
H5	C3	H9	109.562	H6	C4	H8	108.680
H6	C4	H10	109.562	H7	C3	H9	109.710
H8	C4	H10	109.710

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3LYP/3-21G

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	0.465
2	H	-0.014
3	C	-0.859
4	C	-0.859
5	H	0.212
6	H	0.212
7	H	0.214
8	H	0.214
9	H	0.208
10	H	0.208

	x	y	z	Total
	0.550	1.293	0.000	1.405
CHELPG
AIM
ESP

	x	y	z
x	5.571	-0.456	0.000
y	-0.456	5.823	0.000
z	0.000	0.000	7.160

<r²>	85.562
(<r²>)^1/2	9.250

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)