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	hartrees
Energy at 0K	-421.533216
Energy at 298.15K	-421.540956
HF Energy	-421.393727
Nuclear repulsion energy	112.293725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3021	12.08
2	A'	3149	3016	23.50
3	A'	3055	2926	17.08
4	A'	2388	2287	98.28
5	A'	1467	1405	1.47
6	A'	1467	1405	11.00
7	A'	1320	1264	0.49
8	A'	1013	970	26.04
9	A'	962	921	25.47
10	A'	724	693	0.84
11	A'	660	632	2.05
12	A'	255	244	0.17
13	A'	194	186	0.12
14	A"	3155	3022	5.92
15	A"	3151	3018	0.00
16	A"	3057	2928	19.20
17	A"	1459	1397	6.46
18	A"	1453	1392	2.68
19	A"	1303	1248	0.05
20	A"	1029	986	26.69
21	A"	828	793	0.97
22	A"	727	696	3.16
23	A"	704	675	13.28
24	A"	184	177	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.672	0.000
H2	1.368	-0.935	0.000
C3	-0.038	0.533	1.428
C4	-0.038	0.533	-1.428
H5	-1.038	0.985	1.511
H6	-1.038	0.985	-1.511
H7	0.161	-0.012	2.364
H8	0.161	-0.012	-2.364
H9	0.707	1.336	1.316
H10	0.707	1.336	-1.316

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4308	1.8684	1.8684	2.4557	2.4557	2.4620	2.4620	2.5131	2.5131
H2	1.4308		2.4846	2.4846	3.4300	3.4300	2.8104	2.8104	2.7070	2.7070
C3	1.8684	2.4846		2.8570	1.1011	3.1382	1.1006	3.8364	1.1008	2.9549
C4	1.8684	2.4846	2.8570		3.1382	1.1011	3.8364	1.1006	2.9549	1.1008
H5	2.4557	3.4300	1.1011	3.1382		3.0228	1.7774	4.1773	1.7905	3.3409
H6	2.4557	3.4300	3.1382	1.1011	3.0228		4.1773	1.7774	3.3409	1.7905
H7	2.4620	2.8104	1.1006	3.8364	1.7774	4.1773		4.7276	1.7925	3.9568
H8	2.4620	2.8104	3.8364	1.1006	4.1773	1.7774	4.7276		3.9568	1.7925
H9	2.5131	2.7070	1.1008	2.9549	1.7905	3.3409	1.7925	3.9568		2.6320
H10	2.5131	2.7070	2.9549	1.1008	3.3409	1.7905	3.9568	1.7925	2.6320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.813	P1	C3	H7	109.302
P1	C3	H9	113.084	P1	C4	H6	108.813
P1	C4	H8	109.302	P1	C4	H10	113.084
H2	P1	C3	96.824	H2	P1	C4	96.824
C3	P1	C4	99.734	H5	C3	H7	107.665
H5	C3	H9	108.804	H6	C4	H8	107.665
H6	C4	H10	108.804	H7	C3	H9	109.029
H8	C4	H10	109.029

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B2PLYP/cc-pVDZ

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	0.130
2	H	-0.032
3	C	-0.199
4	C	-0.199
5	H	0.052
6	H	0.052
7	H	0.053
8	H	0.053
9	H	0.046
10	H	0.046

	x	y	z	Total
	0.386	1.096	0.000	1.162
CHELPG
AIM
ESP

	x	y	z
x	6.138	-0.405	0.000
y	-0.405	6.490	0.000
z	0.000	0.000	7.825

<r²>	83.255
(<r²>)^1/2	9.124

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)