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	hartrees
Energy at 0K	-421.739536
Energy at 298.15K	-421.747289
HF Energy	-421.739536
Nuclear repulsion energy	112.884899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3127	3010	15.30
2	A'	3122	3005	29.06
3	A'	3039	2926	22.84
4	A'	2350	2262	103.40
5	A'	1494	1438	9.00
6	A'	1491	1435	14.07
7	A'	1356	1306	2.05
8	A'	1027	989	48.50
9	A'	982	946	44.16
10	A'	728	701	1.74
11	A'	662	637	2.19
12	A'	254	245	0.32
13	A'	195	187	0.36
14	A"	3127	3010	7.02
15	A"	3123	3006	0.30
16	A"	3041	2927	21.78
17	A"	1482	1427	13.84
18	A"	1478	1423	0.50
19	A"	1337	1287	5.19
20	A"	1037	998	32.38
21	A"	843	811	0.92
22	A"	734	707	1.92
23	A"	709	682	14.45
24	A"	182	176	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.665	0.000
H2	1.365	-0.926	0.000
C3	-0.038	0.527	1.424
C4	-0.038	0.527	-1.424
H5	-1.029	0.978	1.516
H6	-1.029	0.978	-1.516
H7	0.158	-0.016	2.352
H8	0.158	-0.016	-2.352
H9	0.700	1.327	1.325
H10	0.700	1.327	-1.325

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4269	1.8573	1.8573	2.4458	2.4458	2.4479	2.4479	2.5038	2.5038
H2	1.4269		2.4715	2.4715	3.4143	3.4143	2.7960	2.7960	2.6973	2.6973
C3	1.8573	2.4715		2.8488	1.0931	3.1361	1.0928	3.8205	1.0931	2.9573
C4	1.8573	2.4715	2.8488		3.1361	1.0931	3.8205	1.0928	2.9573	1.0931
H5	2.4458	3.4143	1.0931	3.1361		3.0330	1.7597	4.1672	1.7746	3.3448
H6	2.4458	3.4143	3.1361	1.0931	3.0330		4.1672	1.7597	3.3448	1.7746
H7	2.4479	2.7960	1.0928	3.8205	1.7597	4.1672		4.7045	1.7757	3.9525
H8	2.4479	2.7960	3.8205	1.0928	4.1672	1.7597	4.7045		3.9525	1.7757
H9	2.5038	2.6973	1.0931	2.9573	1.7746	3.3448	1.7757	3.9525		2.6505
H10	2.5038	2.6973	2.9573	1.0931	3.3448	1.7746	3.9525	1.7757	2.6505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.236	P1	C3	H7	109.403
P1	C3	H9	113.590	P1	C4	H6	109.236
P1	C4	H8	109.403	P1	C4	H10	113.590
H2	P1	C3	96.746	H2	P1	C4	96.746
C3	P1	C4	100.158	H5	C3	H7	107.230
H5	C3	H9	108.534	H6	C4	H8	107.230
H6	C4	H10	108.534	H7	C3	H9	108.651
H8	C4	H10	108.651

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3PW91/6-311G*

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	0.268
2	H	0.050
3	C	-0.896
4	C	-0.896
5	H	0.246
6	H	0.246
7	H	0.251
8	H	0.251
9	H	0.240
10	H	0.240

	x	y	z	Total
	0.483	1.310	0.000	1.396
CHELPG
AIM
ESP

	x	y	z
x	6.383	-0.255	0.000
y	-0.255	6.799	0.000
z	0.000	0.000	7.796

<r²>	82.752
(<r²>)^1/2	9.097

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)