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	hartrees
Energy at 0K	-421.847849
Energy at 298.15K	-421.855568
HF Energy	-421.847849
Nuclear repulsion energy	112.756138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	3006	12.72
2	A'	3101	3001	23.83
3	A'	3029	2930	18.63
4	A'	2351	2275	89.73
5	A'	1478	1429	9.88
6	A'	1477	1429	3.95
7	A'	1329	1286	1.32
8	A'	1010	977	24.96
9	A'	964	933	24.90
10	A'	715	691	1.53
11	A'	647	626	3.05
12	A'	252	244	0.23
13	A'	189	183	0.13
14	A"	3108	3007	5.91
15	A"	3103	3002	0.03
16	A"	3031	2932	17.50
17	A"	1469	1422	6.02
18	A"	1464	1416	2.98
19	A"	1314	1271	0.97
20	A"	1027	994	24.39
21	A"	832	805	0.39
22	A"	726	702	0.35
23	A"	696	673	16.30
24	A"	180	174	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.663	0.000
H2	1.358	-0.939	0.000
C3	-0.038	0.527	1.433
C4	-0.038	0.527	-1.433
H5	-1.027	0.977	1.518
H6	-1.027	0.977	-1.518
H7	0.157	-0.021	2.354
H8	0.157	-0.021	-2.354
H9	0.702	1.321	1.329
H10	0.702	1.321	-1.329

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4229	1.8626	1.8626	2.4437	2.4437	2.4477	2.4477	2.4999	2.4999
H2	1.4229		2.4801	2.4801	3.4152	3.4152	2.7977	2.7977	2.7026	2.7026
C3	1.8626	2.4801		2.8650	1.0901	3.1439	1.0897	3.8309	1.0899	2.9670
C4	1.8626	2.4801	2.8650		3.1439	1.0901	3.8309	1.0897	2.9670	1.0899
H5	2.4437	3.4152	1.0901	3.1439		3.0350	1.7599	4.1696	1.7731	3.3483
H6	2.4437	3.4152	3.1439	1.0901	3.0350		4.1696	1.7599	3.3483	1.7731
H7	2.4477	2.7977	1.0897	3.8309	1.7599	4.1696		4.7079	1.7744	3.9575
H8	2.4477	2.7977	3.8309	1.0897	4.1696	1.7599	4.7079		3.9575	1.7744
H9	2.4999	2.7026	1.0899	2.9670	1.7731	3.3483	1.7744	3.9575		2.6580
H10	2.4999	2.7026	2.9670	1.0899	3.3483	1.7731	3.9575	1.7744	2.6580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.880	P1	C3	H7	109.196
P1	C3	H9	113.098	P1	C4	H6	108.880
P1	C4	H8	109.196	P1	C4	H10	113.098
H2	P1	C3	97.122	H2	P1	C4	97.122
C3	P1	C4	100.549	H5	C3	H7	107.676
H5	C3	H9	108.851	H6	C4	H8	107.676
H6	C4	H10	108.851	H7	C3	H9	108.997
H8	C4	H10	108.997

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3LYP/aug-cc-pVTZ

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	0.140
2	H	0.011
3	C	-0.677
4	C	-0.677
5	H	0.213
6	H	0.213
7	H	0.193
8	H	0.193
9	H	0.196
10	H	0.196

	x	y	z	Total
	0.412	1.199	0.000	1.268
CHELPG
AIM
ESP

	x	y	z
x	7.369	-0.054	0.000
y	-0.054	8.286	0.000
z	0.000	0.000	9.344

<r²>	83.132
(<r²>)^1/2	9.118

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)