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	hartrees
Energy at 0K	-421.820477
Energy at 298.15K	-421.828218
HF Energy	-421.820477
Nuclear repulsion energy	112.536581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3110	3005	18.93
2	A'	3105	3000	34.89
3	A'	3031	2929	25.13
4	A'	2334	2255	111.38
5	A'	1501	1450	8.00
6	A'	1498	1447	12.52
7	A'	1363	1317	1.28
8	A'	1030	995	47.47
9	A'	984	951	40.90
10	A'	727	703	2.15
11	A'	649	628	2.56
12	A'	255	247	0.40
13	A'	193	187	0.27
14	A"	3110	3005	9.35
15	A"	3105	3001	0.41
16	A"	3032	2930	23.38
17	A"	1489	1439	12.79
18	A"	1485	1435	0.64
19	A"	1345	1299	3.19
20	A"	1039	1004	32.49
21	A"	847	818	0.65
22	A"	734	709	0.13
23	A"	697	673	16.08
24	A"	182	175	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.668	0.000
H2	1.364	-0.931	0.000
C3	-0.038	0.529	1.431
C4	-0.038	0.529	-1.431
H5	-1.029	0.980	1.523
H6	-1.029	0.980	-1.523
H7	0.160	-0.013	2.358
H8	0.160	-0.013	-2.358
H9	0.699	1.330	1.330
H10	0.699	1.330	-1.330

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4265	1.8658	1.8658	2.4532	2.4532	2.4557	2.4557	2.5104	2.5104
H2	1.4265		2.4792	2.4792	3.4205	3.4205	2.8028	2.8028	2.7059	2.7059
C3	1.8658	2.4792		2.8620	1.0926	3.1483	1.0923	3.8331	1.0926	2.9678
C4	1.8658	2.4792	2.8620		3.1483	1.0926	3.8331	1.0923	2.9678	1.0926
H5	2.4532	3.4205	1.0926	3.1483		3.0462	1.7598	4.1791	1.7737	3.3541
H6	2.4532	3.4205	3.1483	1.0926	3.0462		4.1791	1.7598	3.3541	1.7737
H7	2.4557	2.8028	1.0923	3.8331	1.7598	4.1791		4.7169	1.7749	3.9622
H8	2.4557	2.8028	3.8331	1.0923	4.1791	1.7598	4.7169		3.9622	1.7749
H9	2.5104	2.7059	1.0926	2.9678	1.7737	3.3541	1.7749	3.9622		2.6604
H10	2.5104	2.7059	2.9678	1.0926	3.3541	1.7737	3.9622	1.7749	2.6604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.234	P1	C3	H7	109.427
P1	C3	H9	113.521	P1	C4	H6	109.234
P1	C4	H8	109.427	P1	C4	H10	113.521
H2	P1	C3	96.804	H2	P1	C4	96.804
C3	P1	C4	100.165	H5	C3	H7	107.303
H5	C3	H9	108.521	H6	C4	H8	107.303
H6	C4	H10	108.521	H7	C3	H9	108.646
H8	C4	H10	108.646

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3LYP/6-311G*

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	0.299
2	H	0.032
3	C	-0.853
4	C	-0.853
5	H	0.230
6	H	0.230
7	H	0.234
8	H	0.234
9	H	0.224
10	H	0.224

	x	y	z	Total
	0.456	1.255	0.000	1.335
CHELPG
AIM
ESP

	x	y	z
x	6.446	-0.255	0.000
y	-0.255	6.894	0.000
z	0.000	0.000	7.907

<r²>	83.461
(<r²>)^1/2	9.136

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)