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	hartrees
Energy at 0K	-420.383426
Energy at 298.15K	-420.391045
HF Energy	-420.383426
Nuclear repulsion energy	113.178016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3089	3043	4.55
2	A'	3076	3030	13.19
3	A'	2980	2935	18.82
4	A'	2299	2264	96.53
5	A'	1410	1389	4.04
6	A'	1408	1387	28.55
7	A'	1273	1254	6.60
8	A'	974	959	30.36
9	A'	928	914	38.45
10	A'	705	694	1.55
11	A'	657	647	1.30
12	A'	241	237	0.30
13	A'	189	187	0.31
14	A"	3091	3044	1.77
15	A"	3081	3034	0.00
16	A"	2985	2940	12.52
17	A"	1399	1378	17.93
18	A"	1394	1373	2.11
19	A"	1256	1237	12.25
20	A"	984	969	24.05
21	A"	791	779	0.49
22	A"	725	715	16.32
23	A"	683	673	2.57
24	A"	178	175	0.09

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.668	0.000
H2	1.377	-0.925	0.000
C3	-0.038	0.527	1.407
C4	-0.038	0.527	-1.407
H5	-1.043	0.971	1.497
H6	-1.043	0.971	-1.497
H7	0.169	-0.007	2.349
H8	0.169	-0.007	-2.349
H9	0.697	1.342	1.289
H10	0.697	1.342	-1.289

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4377	1.8463	1.8463	2.4372	2.4372	2.4486	2.4486	2.4982	2.4982
H2	1.4377		2.4678	2.4678	3.4196	3.4196	2.7959	2.7959	2.6949	2.6949
C3	1.8463	2.4678		2.8141	1.1027	3.1055	1.1021	3.7991	1.1033	2.9105
C4	1.8463	2.4678	2.8141		3.1055	1.1027	3.7991	1.1021	2.9105	1.1033
H5	2.4372	3.4196	1.1027	3.1055		2.9949	1.7750	4.1495	1.7913	3.3059
H6	2.4372	3.4196	3.1055	1.1027	2.9949		4.1495	1.7750	3.3059	1.7913
H7	2.4486	2.7959	1.1021	3.7991	1.7750	4.1495		4.6971	1.7947	3.9152
H8	2.4486	2.7959	3.7991	1.1021	4.1495	1.7750	4.6971		3.9152	1.7947
H9	2.4982	2.6949	1.1033	2.9105	1.7913	3.3059	1.7947	3.9152		2.5777
H10	2.4982	2.6949	2.9105	1.1033	3.3059	1.7913	3.9152	1.7947	2.5777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.846	P1	C3	H7	109.705
P1	C3	H9	113.353	P1	C4	H6	108.846
P1	C4	H8	109.705	P1	C4	H10	113.353
H2	P1	C3	96.644	H2	P1	C4	96.644
C3	P1	C4	99.300	H5	C3	H7	107.232
H5	C3	H9	108.588	H6	C4	H8	107.232
H6	C4	H10	108.588	H7	C3	H9	108.931
H8	C4	H10	108.931

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: LSDA/6-31+G**

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	0.221
2	H	0.013
3	C	-0.746
4	C	-0.746
5	H	0.211
6	H	0.211
7	H	0.213
8	H	0.213
9	H	0.205
10	H	0.205

	x	y	z	Total
	0.519	1.366	0.000	1.462
CHELPG
AIM
ESP

	x	y	z
x	6.810	-0.178	0.000
y	-0.178	7.533	0.000
z	0.000	0.000	8.463

<r²>	82.146
(<r²>)^1/2	9.063

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)