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	hartrees
Energy at 0K	-421.740747
Energy at 298.15K	-421.748346
HF Energy	-421.740747
Nuclear repulsion energy	111.698300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3076	3076	17.92
2	A'	3068	3068	34.16
3	A'	2976	2976	24.77
4	A'	2282	2282	97.28
5	A'	1419	1419	9.04
6	A'	1417	1417	1.92
7	A'	1268	1268	0.45
8	A'	977	977	21.07
9	A'	931	931	21.82
10	A'	702	702	0.92
11	A'	623	623	2.35
12	A'	247	247	0.22
13	A'	187	187	0.14
14	A"	3077	3077	10.72
15	A"	3069	3069	0.09
16	A"	2978	2978	25.76
17	A"	1408	1408	5.76
18	A"	1405	1405	2.25
19	A"	1250	1250	0.00
20	A"	987	987	20.19
21	A"	802	802	0.26
22	A"	702	702	0.79
23	A"	668	668	13.76
24	A"	165	165	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.680	0.000
H2	1.382	-0.929	0.000
C3	-0.038	0.539	1.434
C4	-0.038	0.539	-1.434
H5	-1.036	1.002	1.503
H6	-1.036	1.002	-1.503
H7	0.148	-0.003	2.375
H8	0.148	-0.003	-2.375
H9	0.716	1.334	1.319
H10	0.716	1.334	-1.319

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4426	1.8824	1.8824	2.4666	2.4666	2.4773	2.4773	2.5233	2.5233
H2	1.4426		2.4964	2.4964	3.4408	3.4408	2.8329	2.8329	2.7036	2.7036
C3	1.8824	2.4964		2.8688	1.1022	3.1367	1.1016	3.8526	1.1020	2.9638
C4	1.8824	2.4964	2.8688		3.1367	1.1022	3.8526	1.1016	2.9638	1.1020
H5	2.4666	3.4408	1.1022	3.1367		3.0062	1.7812	4.1779	1.7925	3.3385
H6	2.4666	3.4408	3.1367	1.1022	3.0062		4.1779	1.7812	3.3385	1.7925
H7	2.4773	2.8329	1.1016	3.8526	1.7812	4.1779		4.7509	1.7956	3.9699
H8	2.4773	2.8329	3.8526	1.1016	4.1779	1.7812	4.7509		3.9699	1.7956
H9	2.5233	2.7036	1.1020	2.9638	1.7925	3.3385	1.7956	3.9699		2.6387
H10	2.5233	2.7036	2.9638	1.1020	3.3385	1.7925	3.9699	1.7956	2.6387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.634	P1	C3	H7	109.433
P1	C3	H9	112.821	P1	C4	H6	108.634
P1	C4	H8	109.433	P1	C4	H10	112.821
H2	P1	C3	96.423	H2	P1	C4	96.423
C3	P1	C4	99.281	H5	C3	H7	107.857
H5	C3	H9	108.828	H6	C4	H8	107.857
H6	C4	H10	108.828	H7	C3	H9	109.146
H8	C4	H10	109.146

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B97D3/aug-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	0.040
2	H	0.312
3	C	0.592
4	C	0.592
5	H	-0.212
6	H	-0.212
7	H	-0.294
8	H	-0.294
9	H	-0.262
10	H	-0.262

	x	y	z	Total
	0.400	1.199	0.000	1.264
CHELPG
AIM
ESP

	x	y	z
x	7.598	-0.058	0.000
y	-0.058	8.588	0.000
z	0.000	0.000	9.674

<r²>	84.025
(<r²>)^1/2	9.167

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)