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	hartrees
Energy at 0K	-421.793921
Energy at 298.15K	-421.801614
HF Energy	-421.793921
Nuclear repulsion energy	111.980696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3121	3027	13.05
2	A'	3115	3022	24.92
3	A'	3028	2937	17.95
4	A'	2332	2262	101.68
5	A'	1449	1406	1.69
6	A'	1449	1405	10.42
7	A'	1304	1265	0.35
8	A'	1001	971	26.10
9	A'	951	923	26.24
10	A'	716	694	0.54
11	A'	645	625	2.18
12	A'	250	243	0.12
13	A'	192	186	0.15
14	A"	3121	3028	6.21
15	A"	3117	3023	0.00
16	A"	3029	2938	19.98
17	A"	1441	1398	6.89
18	A"	1436	1393	2.24
19	A"	1287	1248	0.01
20	A"	1017	986	27.05
21	A"	818	794	1.06
22	A"	720	699	1.05
23	A"	691	670	15.86
24	A"	182	176	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.671	0.000
H2	1.375	-0.934	0.000
C3	-0.038	0.532	1.436
C4	-0.038	0.532	-1.436
H5	-1.041	0.982	1.523
H6	-1.041	0.982	-1.523
H7	0.163	-0.018	2.369
H8	0.163	-0.018	-2.369
H9	0.705	1.339	1.329
H10	0.705	1.339	-1.329

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4370	1.8737	1.8737	2.4612	2.4612	2.4652	2.4652	2.5212	2.5212
H2	1.4370		2.4919	2.4919	3.4389	3.4389	2.8140	2.8140	2.7170	2.7170
C3	1.8737	2.4919		2.8724	1.1021	3.1570	1.1015	3.8499	1.1018	2.9744
C4	1.8737	2.4919	2.8724		3.1570	1.1021	3.8499	1.1015	2.9744	1.1018
H5	2.4612	3.4389	1.1021	3.1570		3.0470	1.7785	4.1950	1.7920	3.3627
H6	2.4612	3.4389	3.1570	1.1021	3.0470		4.1950	1.7785	3.3627	1.7920
H7	2.4652	2.8140	1.1015	3.8499	1.7785	4.1950		4.7376	1.7939	3.9758
H8	2.4652	2.8140	3.8499	1.1015	4.1950	1.7785	4.7376		3.9758	1.7939
H9	2.5212	2.7170	1.1018	2.9744	1.7920	3.3627	1.7939	3.9758		2.6573
H10	2.5212	2.7170	2.9744	1.1018	3.3627	1.7920	3.9758	1.7939	2.6573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.824	P1	C3	H7	109.141
P1	C3	H9	113.284	P1	C4	H6	108.824
P1	C4	H8	109.141	P1	C4	H10	113.284
H2	P1	C3	96.763	H2	P1	C4	96.763
C3	P1	C4	100.088	H5	C3	H7	107.624
H5	C3	H9	108.804	H6	C4	H8	107.624
H6	C4	H10	108.804	H7	C3	H9	109.011
H8	C4	H10	109.011

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3LYP/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	0.115
2	H	-0.035
3	C	-0.170
4	C	-0.170
5	H	0.045
6	H	0.045
7	H	0.045
8	H	0.045
9	H	0.040
10	H	0.040

	x	y	z	Total
	0.360	1.097	0.000	1.154
CHELPG
AIM
ESP

	x	y	z
x	6.211	-0.409	0.000
y	-0.409	6.560	0.000
z	0.000	0.000	7.959

<r²>	83.587
(<r²>)^1/2	9.143

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)