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	hartrees
Energy at 0K	-421.488571
Energy at 298.15K	-421.496170
HF Energy	-421.488571
Nuclear repulsion energy	111.691120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3072	3055	9.07
2	A'	3065	3047	19.44
3	A'	2969	2952	16.99
4	A'	2270	2257	91.11
5	A'	1400	1392	3.22
6	A'	1398	1389	9.83
7	A'	1250	1243	0.41
8	A'	967	961	24.66
9	A'	918	913	26.83
10	A'	698	694	0.27
11	A'	635	631	1.77
12	A'	242	241	0.07
13	A'	189	188	0.22
14	A"	3073	3055	3.84
15	A"	3067	3050	0.03
16	A"	2972	2954	17.34
17	A"	1389	1381	8.54
18	A"	1385	1377	1.72
19	A"	1233	1226	0.08
20	A"	978	973	24.43
21	A"	788	783	1.22
22	A"	701	697	5.59
23	A"	677	673	11.71
24	A"	180	179	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.674	0.000
H2	1.389	-0.924	0.000
C3	-0.038	0.534	1.435
C4	-0.038	0.534	-1.435
H5	-1.049	0.981	1.524
H6	-1.049	0.981	-1.524
H7	0.167	-0.018	2.374
H8	0.167	-0.018	-2.374
H9	0.705	1.350	1.325
H10	0.705	1.350	-1.325

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4489	1.8761	1.8761	2.4664	2.4664	2.4718	2.4718	2.5307	2.5307
H2	1.4489		2.4948	2.4948	3.4493	3.4493	2.8200	2.8200	2.7197	2.7197
C3	1.8761	2.4948		2.8707	1.1090	3.1591	1.1084	3.8549	1.1089	2.9729
C4	1.8761	2.4948	2.8707		3.1591	1.1090	3.8549	1.1084	2.9729	1.1089
H5	2.4664	3.4493	1.1090	3.1591		3.0479	1.7888	4.2040	1.8035	3.3661
H6	2.4664	3.4493	3.1591	1.1090	3.0479		4.2040	1.7888	3.3661	1.8035
H7	2.4718	2.8200	1.1084	3.8549	1.7888	4.2040		4.7487	1.8060	3.9808
H8	2.4718	2.8200	3.8549	1.1084	4.2040	1.7888	4.7487		3.9808	1.8060
H9	2.5307	2.7197	1.1089	2.9729	1.8035	3.3661	1.8060	3.9808		2.6503
H10	2.5307	2.7197	2.9729	1.1089	3.3661	1.8035	3.9808	1.8060	2.6503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.694	P1	C3	H7	109.111
P1	C3	H9	113.436	P1	C4	H6	108.694
P1	C4	H8	109.111	P1	C4	H10	113.436
H2	P1	C3	96.388	H2	P1	C4	96.388
C3	P1	C4	99.828	H5	C3	H7	107.551
H5	C3	H9	108.810	H6	C4	H8	107.551
H6	C4	H10	108.810	H7	C3	H9	109.075
H8	C4	H10	109.075

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: PBEPBE/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	0.059
2	H	-0.004
3	C	-0.203
4	C	-0.203
5	H	0.061
6	H	0.061
7	H	0.061
8	H	0.061
9	H	0.054
10	H	0.054

	x	y	z	Total
	0.372	1.152	0.000	1.211
CHELPG
AIM
ESP

	x	y	z
x	6.346	-0.390	0.000
y	-0.390	6.719	0.000
z	0.000	0.000	8.141

<r²>	83.730
(<r²>)^1/2	9.150

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)