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	hartrees
Energy at 0K	-22.056995
Energy at 298.15K	-22.064796
HF Energy	-22.056995
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3136	25.67
2	A'	3132	3132	46.85
3	A'	3047	3047	23.33
4	A'	2363	2363	114.15
5	A'	1507	1507	7.69
6	A'	1503	1503	14.15
7	A'	1361	1361	2.46
8	A'	1028	1028	33.68
9	A'	973	973	30.09
10	A'	740	740	1.24
11	A'	665	665	2.84
12	A'	260	260	0.45
13	A'	201	201	0.13
14	A"	3135	3135	14.44
15	A"	3133	3133	1.36
16	A"	3049	3049	28.15
17	A"	1499	1499	9.46
18	A"	1490	1490	3.15
19	A"	1344	1344	4.35
20	A"	1036	1036	26.37
21	A"	838	838	0.68
22	A"	734	734	0.36
23	A"	707	707	17.26
24	A"	203	203	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.677	0.000
H2	1.376	-0.931	0.000
C3	-0.038	0.536	1.430
C4	-0.038	0.536	-1.430
H5	-1.030	0.998	1.508
H6	-1.030	0.998	-1.508
H7	0.151	-0.001	2.366
H8	0.151	-0.001	-2.366
H9	0.710	1.328	1.317
H10	0.710	1.328	-1.317

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4370	1.8751	1.8751	2.4617	2.4617	2.4683	2.4683	2.5130	2.5130
H2	1.4370		2.4895	2.4895	3.4322	3.4322	2.8222	2.8222	2.6983	2.6983
C3	1.8751	2.4895		2.8602	1.0963	3.1347	1.0957	3.8389	1.0958	2.9556
C4	1.8751	2.4895	2.8602		3.1347	1.0963	3.8389	1.0957	2.9556	1.0958
H5	2.4617	3.4322	1.0963	3.1347		3.0153	1.7688	4.1712	1.7813	3.3341
H6	2.4617	3.4322	3.1347	1.0963	3.0153		4.1712	1.7688	3.3341	1.7813
H7	2.4683	2.8222	1.0957	3.8389	1.7688	4.1712		4.7327	1.7830	3.9556
H8	2.4683	2.8222	3.8389	1.0957	4.1712	1.7688	4.7327		3.9556	1.7830
H9	2.5130	2.6983	1.0958	2.9556	1.7813	3.3341	1.7830	3.9556		2.6343
H10	2.5130	2.6983	2.9556	1.0958	3.3341	1.7813	3.9556	1.7830	2.6343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.051	P1	C3	H7	109.564
P1	C3	H9	112.886	P1	C4	H6	109.051
P1	C4	H8	109.564	P1	C4	H10	112.886
H2	P1	C3	96.569	H2	P1	C4	96.569
C3	P1	C4	99.401	H5	C3	H7	107.599
H5	C3	H9	108.704	H6	C4	H8	107.599
H6	C4	H10	108.704	H7	C3	H9	108.898
H8	C4	H10	108.898

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: wB97X-D/CEP-121G*

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	0.084
2	H	0.006
3	C	-0.612
4	C	-0.612
5	H	0.187
6	H	0.187
7	H	0.197
8	H	0.197
9	H	0.183
10	H	0.183

	x	y	z	Total
	0.445	1.243	0.000	1.320
CHELPG
AIM
ESP

	x	y	z
x	6.603	-0.280	0.000
y	-0.280	7.016	0.000
z	0.000	0.000	8.022

<r²>	68.856
(<r²>)^1/2	8.298

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: wB97X-D/CEP-121G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)