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	hartrees
Energy at 0K	-419.510422
Energy at 298.15K	-419.518301
HF Energy	-419.510422
Nuclear repulsion energy	111.263998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3054	14.68
2	A'	3158	3027	5.24
3	A'	3079	2951	8.65
4	A'	2254	2161	106.11
5	A'	1553	1489	25.25
6	A'	1551	1487	4.42
7	A'	1402	1344	2.74
8	A'	1055	1012	38.72
9	A'	1019	977	37.52
10	A'	754	723	2.93
11	A'	663	636	0.62
12	A'	267	256	0.39
13	A'	198	190	0.09
14	A"	3187	3055	0.17
15	A"	3158	3027	0.85
16	A"	3081	2953	12.46
17	A"	1541	1478	9.69
18	A"	1539	1476	7.93
19	A"	1383	1325	4.45
20	A"	1066	1022	23.24
21	A"	896	859	1.84
22	A"	775	743	0.08
23	A"	706	677	7.99
24	A"	205	196	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.697	0.000
H2	1.380	-0.931	0.000
C3	-0.039	0.554	1.436
C4	-0.039	0.554	-1.436
H5	-1.034	1.001	1.505
H6	-1.034	1.001	-1.505
H7	0.171	0.026	2.369
H8	0.171	0.026	-2.369
H9	0.704	1.341	1.284
H10	0.704	1.341	-1.284

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4381	1.9044	1.9044	2.4778	2.4778	2.4862	2.4862	2.5209	2.5209
H2	1.4381		2.5062	2.5062	3.4388	3.4388	2.8271	2.8271	2.6963	2.6963
C3	1.9044	2.5062		2.8721	1.0928	3.1372	1.0925	3.8476	1.0930	2.9280
C4	1.9044	2.5062	2.8721		3.1372	1.0928	3.8476	1.0925	2.9280	1.0930
H5	2.4778	3.4388	1.0928	3.1372		3.0110	1.7741	4.1732	1.7843	3.3044
H6	2.4778	3.4388	3.1372	1.0928	3.0110		4.1732	1.7741	3.3044	1.7843
H7	2.4862	2.8271	1.0925	3.8476	1.7741	4.1732		4.7387	1.7859	3.9196
H8	2.4862	2.8271	3.8476	1.0925	4.1732	1.7741	4.7387		3.9196	1.7859
H9	2.5209	2.6963	1.0930	2.9280	1.7843	3.3044	1.7859	3.9196		2.5690
H10	2.5209	2.6963	2.9280	1.0930	3.3044	1.7843	3.9196	1.7859	2.5690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.466	P1	C3	H7	109.090
P1	C3	H9	111.620	P1	C4	H6	108.466
P1	C4	H8	109.090	P1	C4	H10	111.620
H2	P1	C3	96.142	H2	P1	C4	96.142
C3	P1	C4	97.888	H5	C3	H7	108.558
H5	C3	H9	109.436	H6	C4	H8	108.558
H6	C4	H10	109.436	H7	C3	H9	109.612
H8	C4	H10	109.612

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: M06-2X/3-21G

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	0.470
2	H	-0.000
3	C	-0.894
4	C	-0.894
5	H	0.221
6	H	0.221
7	H	0.223
8	H	0.223
9	H	0.214
10	H	0.214

	x	y	z	Total
	0.615	1.256	0.000	1.399
CHELPG
AIM
ESP

	x	y	z
x	5.502	-0.474	0.000
y	-0.474	5.834	0.000
z	0.000	0.000	7.089

<r²>	84.387
(<r²>)^1/2	9.186

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)