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	hartrees
Energy at 0K	-421.748945
Energy at 298.15K	-421.756758
HF Energy	-421.748945
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3008	9.15
2	A'	3149	3000	19.14
3	A'	3051	2906	17.00
4	A'	2343	2232	92.99
5	A'	1464	1395	5.73
6	A'	1459	1390	10.23
7	A'	1319	1256	1.35
8	A'	1016	968	28.09
9	A'	963	917	26.60
10	A'	734	700	0.61
11	A'	668	637	1.71
12	A'	265	253	0.16
13	A'	205	195	0.16
14	A"	3158	3008	4.84
15	A"	3151	3002	0.01
16	A"	3053	2909	19.38
17	A"	1456	1387	7.15
18	A"	1446	1377	3.22
19	A"	1303	1241	0.98
20	A"	1029	980	24.71
21	A"	831	791	1.40
22	A"	730	696	5.97
23	A"	708	674	10.34
24	A"	205	195	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.668	0.000
H2	1.368	-0.936	0.000
C3	-0.038	0.530	1.425
C4	-0.038	0.530	-1.425
H5	-1.034	0.993	1.500
H6	-1.034	0.993	-1.500
H7	0.147	-0.017	2.361
H8	0.147	-0.017	-2.361
H9	0.716	1.325	1.318
H10	0.716	1.325	-1.318

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4310	1.8614	1.8614	2.4500	2.4500	2.4565	2.4565	2.5054	2.5054
H2	1.4310		2.4809	2.4809	3.4265	3.4265	2.8125	2.8125	2.6970	2.6970
C3	1.8614	2.4809		2.8492	1.1009	3.1243	1.1002	3.8296	1.1006	2.9534
C4	1.8614	2.4809	2.8492		3.1243	1.1009	3.8296	1.1002	2.9534	1.1006
H5	2.4500	3.4265	1.1009	3.1243		3.0006	1.7766	4.1625	1.7900	3.3338
H6	2.4500	3.4265	3.1243	1.1009	3.0006		4.1625	1.7766	3.3338	1.7900
H7	2.4565	2.8125	1.1002	3.8296	1.7766	4.1625		4.7225	1.7917	3.9573
H8	2.4565	2.8125	3.8296	1.1002	4.1625	1.7766	4.7225		3.9573	1.7917
H9	2.5054	2.6970	1.1006	2.9534	1.7900	3.3338	1.7917	3.9573		2.6362
H10	2.5054	2.6970	2.9534	1.1006	3.3338	1.7900	3.9573	1.7917	2.6362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.876	P1	C3	H7	109.377
P1	C3	H9	113.000	P1	C4	H6	108.876
P1	C4	H8	109.377	P1	C4	H10	113.000
H2	P1	C3	96.924	H2	P1	C4	96.924
C3	P1	C4	99.872	H5	C3	H7	107.639
H5	C3	H9	108.802	H6	C4	H8	107.639
H6	C4	H10	108.802	H7	C3	H9	109.005
H8	C4	H10	109.005

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: wB97X-D/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	0.089
2	H	-0.013
3	C	-0.234
4	C	-0.234
5	H	0.067
6	H	0.067
7	H	0.069
8	H	0.069
9	H	0.060
10	H	0.060

	x	y	z	Total
	0.436	1.197	0.000	1.274
CHELPG
AIM
ESP

	x	y	z
x	6.155	-0.414	0.000
y	-0.414	6.481	0.000
z	0.000	0.000	7.801

<r²>	82.650
(<r²>)^1/2	9.091

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)