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	hartrees
Energy at 0K	-421.678151
Energy at 298.15K	-421.685914
HF Energy	-421.678151
Nuclear repulsion energy	112.914779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3007	16.82
2	A'	3172	3003	13.86
3	A'	3082	2919	12.71
4	A'	2426	2297	113.31
5	A'	1516	1436	12.34
6	A'	1513	1433	5.26
7	A'	1368	1296	1.43
8	A'	1019	965	34.85
9	A'	985	932	35.78
10	A'	706	669	2.31
11	A'	661	626	1.87
12	A'	264	250	0.35
13	A'	196	186	0.11
14	A"	3177	3008	2.47
15	A"	3172	3004	2.03
16	A"	3085	2921	13.70
17	A"	1506	1427	7.24
18	A"	1499	1420	4.77
19	A"	1350	1279	2.05
20	A"	1046	990	30.24
21	A"	845	801	0.98
22	A"	738	699	8.43
23	A"	714	676	6.25
24	A"	195	184	0.06

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.673	0.000
H2	1.358	-0.930	0.000
C3	-0.038	0.533	1.417
C4	-0.038	0.533	-1.417
H5	-1.029	0.987	1.497
H6	-1.029	0.987	-1.497
H7	0.158	-0.000	2.351
H8	0.158	-0.000	-2.351
H9	0.704	1.327	1.299
H10	0.704	1.327	-1.299

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4190	1.8605	1.8605	2.4454	2.4454	2.4534	2.4534	2.4978	2.4978
H2	1.4190		2.4686	2.4686	3.4079	3.4079	2.7986	2.7986	2.6851	2.6851
C3	1.8605	2.4686		2.8341	1.0936	3.1115	1.0931	3.8108	1.0934	2.9258
C4	1.8605	2.4686	2.8341		3.1115	1.0936	3.8108	1.0931	2.9258	1.0934
H5	2.4454	3.4079	1.0936	3.1115		2.9940	1.7647	4.1465	1.7771	3.3073
H6	2.4454	3.4079	3.1115	1.0936	2.9940		4.1465	1.7647	3.3073	1.7771
H7	2.4534	2.7986	1.0931	3.8108	1.7647	4.1465		4.7025	1.7796	3.9226
H8	2.4534	2.7986	3.8108	1.0931	4.1465	1.7647	4.7025		3.9226	1.7796
H9	2.4978	2.6851	1.0934	2.9258	1.7771	3.3073	1.7796	3.9226		2.5985
H10	2.4978	2.6851	2.9258	1.0934	3.3073	1.7771	3.9226	1.7796	2.5985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.968	P1	C3	H7	109.579
P1	C3	H9	112.888	P1	C4	H6	108.968
P1	C4	H8	109.579	P1	C4	H10	112.888
H2	P1	C3	96.731	H2	P1	C4	96.731
C3	P1	C4	99.222	H5	C3	H7	107.606
H5	C3	H9	108.698	H6	C4	H8	107.606
H6	C4	H10	108.698	H7	C3	H9	108.962
H8	C4	H10	108.962

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: M06-2X/6-31G*

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	0.241
2	H	0.001
3	C	-0.672
4	C	-0.672
5	H	0.184
6	H	0.184
7	H	0.188
8	H	0.188
9	H	0.179
10	H	0.179

	x	y	z	Total
	0.476	1.254	0.000	1.341
CHELPG
AIM
ESP

	x	y	z
x	5.791	-0.322	0.000
y	-0.322	6.238	0.000
z	0.000	0.000	7.284

<r²>	82.273
(<r²>)^1/2	9.070

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)