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	hartrees
Energy at 0K	-419.613332
Energy at 298.15K	-419.621289
HF Energy	-419.613332
Nuclear repulsion energy	113.091937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	2995	17.82
2	A'	3134	2968	8.64
3	A'	3061	2899	6.76
4	A'	2517	2384	86.13
5	A'	1555	1473	20.72
6	A'	1551	1469	5.88
7	A'	1411	1336	5.28
8	A'	1072	1015	45.06
9	A'	1020	966	37.34
10	A'	770	729	0.62
11	A'	676	640	2.24
12	A'	283	268	0.41
13	A'	211	200	0.14
14	A"	3163	2996	0.09
15	A"	3133	2968	0.75
16	A"	3063	2902	12.73
17	A"	1544	1462	6.99
18	A"	1538	1457	8.70
19	A"	1395	1321	10.05
20	A"	1085	1028	27.06
21	A"	888	841	3.02
22	A"	772	731	0.98
23	A"	719	681	15.31
24	A"	224	212	0.06

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.677	0.000
H2	1.357	-0.909	0.000
C3	-0.038	0.534	1.409
C4	-0.038	0.534	-1.409
H5	-1.031	0.991	1.490
H6	-1.031	0.991	-1.490
H7	0.165	0.008	2.347
H8	0.165	0.008	-2.347
H9	0.704	1.327	1.277
H10	0.704	1.327	-1.277

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4144	1.8582	1.8582	2.4466	2.4466	2.4538	2.4538	2.4899	2.4899
H2	1.4144		2.4526	2.4526	3.3955	3.3955	2.7877	2.7877	2.6565	2.6565
C3	1.8582	2.4526		2.8181	1.0953	3.0977	1.0948	3.7985	1.0946	2.8972
C4	1.8582	2.4526	2.8181		3.0977	1.0953	3.7985	1.0948	2.8972	1.0946
H5	2.4466	3.3955	1.0953	3.0977		2.9794	1.7695	4.1374	1.7803	3.2828
H6	2.4466	3.3955	3.0977	1.0953	2.9794		4.1374	1.7695	3.2828	1.7803
H7	2.4538	2.7877	1.0948	3.7985	1.7695	4.1374		4.6947	1.7824	3.8941
H8	2.4538	2.7877	3.7985	1.0948	4.1374	1.7695	4.6947		3.8941	1.7824
H9	2.4899	2.6565	1.0946	2.8972	1.7803	3.2828	1.7824	3.8941		2.5534
H10	2.4899	2.6565	2.8972	1.0946	3.2828	1.7803	3.8941	1.7824	2.5534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.118	P1	C3	H7	109.672
P1	C3	H9	112.375	P1	C4	H6	109.118
P1	C4	H8	109.672	P1	C4	H10	112.375
H2	P1	C3	96.136	H2	P1	C4	96.136
C3	P1	C4	98.624	H5	C3	H7	107.793
H5	C3	H9	108.772	H6	C4	H8	107.793
H6	C4	H10	108.772	H7	C3	H9	109.000
H8	C4	H10	109.000

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: M06-2X/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	0.335
2	H	0.032
3	C	-0.812
4	C	-0.812
5	H	0.209
6	H	0.209
7	H	0.214
8	H	0.214
9	H	0.206
10	H	0.206

	x	y	z	Total
	0.479	1.191	0.000	1.283
CHELPG
AIM
ESP

	x	y	z
x	5.410	-0.377	0.000
y	-0.377	5.725	0.000
z	0.000	0.000	6.818

<r²>	81.941
(<r²>)^1/2	9.052

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)