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	hartrees
Energy at 0K	-419.415741
Energy at 298.15K
HF Energy	-419.314016
Nuclear repulsion energy	112.819371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3142	17.25
2	A'	3139	3139	21.65
3	A'	3063	3063	15.05
4	A'	2444	2444	93.12
5	A'	1570	1570	4.58
6	A'	1566	1566	16.07
7	A'	1426	1426	2.98
8	A'	1076	1076	39.66
9	A'	1029	1029	38.68
10	A'	763	763	1.32
11	A'	672	672	1.84
12	A'	269	269	0.16
13	A'	197	197	0.18
14	A"	3142	3142	5.90
15	A"	3139	3139	0.50
16	A"	3065	3065	15.65
17	A"	1559	1559	12.46
18	A"	1555	1555	1.21
19	A"	1411	1411	5.37
20	A"	1087	1087	29.17
21	A"	892	892	2.04
22	A"	776	776	0.02
23	A"	718	718	14.14
24	A"	194	194	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.671	0.000
H2	1.357	-0.918	0.000
C3	-0.038	0.531	1.422
C4	-0.038	0.531	-1.422
H5	-1.032	0.981	1.512
H6	-1.032	0.981	-1.512
H7	0.173	-0.004	2.353
H8	0.173	-0.004	-2.353
H9	0.698	1.330	1.297
H10	0.698	1.330	-1.297

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4174	1.8619	1.8619	2.4501	2.4501	2.4547	2.4547	2.4962	2.4962
H2	1.4174		2.4637	2.4637	3.4061	3.4061	2.7883	2.7883	2.6780	2.6780
C3	1.8619	2.4637		2.8435	1.0945	3.1300	1.0942	3.8180	1.0940	2.9282
C4	1.8619	2.4637	2.8435		3.1300	1.0945	3.8180	1.0942	2.9282	1.0940
H5	2.4501	3.4061	1.0945	3.1300		3.0241	1.7686	4.1663	1.7783	3.3179
H6	2.4501	3.4061	3.1300	1.0945	3.0241		4.1663	1.7686	3.3179	1.7783
H7	2.4547	2.7883	1.0942	3.8180	1.7686	4.1663		4.7055	1.7804	3.9215
H8	2.4547	2.7883	3.8180	1.0942	4.1663	1.7686	4.7055		3.9215	1.7804
H9	2.4962	2.6780	1.0940	2.9282	1.7783	3.3179	1.7804	3.9215		2.5945
H10	2.4962	2.6780	2.9282	1.0940	3.3179	1.7783	3.9215	1.7804	2.5945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.172	P1	C3	H7	109.514
P1	C3	H9	112.628	P1	C4	H6	109.172
P1	C4	H8	109.514	P1	C4	H10	112.628
H2	P1	C3	96.458	H2	P1	C4	96.458
C3	P1	C4	99.562	H5	C3	H7	107.811
H5	C3	H9	108.697	H6	C4	H8	107.811
H6	C4	H10	108.697	H7	C3	H9	108.900
H8	C4	H10	108.900

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B2PLYP=FULLultrafine/3-21G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)