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	hartrees
Energy at 0K	-421.763887
Energy at 298.15K	-421.771645
HF Energy	-421.763887
Nuclear repulsion energy	112.918245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3020	10.96
2	A'	3168	3015	22.28
3	A'	3074	2925	15.66
4	A'	2404	2288	110.47
5	A'	1495	1422	2.02
6	A'	1494	1421	15.88
7	A'	1353	1288	1.62
8	A'	1027	977	36.68
9	A'	983	935	38.36
10	A'	729	694	1.62
11	A'	670	638	1.31
12	A'	254	242	0.11
13	A'	195	185	0.25
14	A"	3174	3020	4.68
15	A"	3170	3016	0.03
16	A"	3076	2927	15.06
17	A"	1485	1413	9.93
18	A"	1480	1408	2.56
19	A"	1336	1272	3.02
20	A"	1041	990	29.49
21	A"	842	801	0.94
22	A"	739	703	4.85
23	A"	717	682	9.86
24	A"	184	175	0.04

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.663	0.000
H2	1.359	-0.936	0.000
C3	-0.038	0.527	1.426
C4	-0.038	0.527	-1.426
H5	-1.029	0.976	1.515
H6	-1.029	0.976	-1.515
H7	0.158	-0.019	2.352
H8	0.158	-0.019	-2.352
H9	0.701	1.325	1.324
H10	0.701	1.325	-1.324

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4227	1.8574	1.8574	2.4425	2.4425	2.4461	2.4461	2.5001	2.5001
H2	1.4227		2.4743	2.4743	3.4136	3.4136	2.7949	2.7949	2.7008	2.7008
C3	1.8574	2.4743		2.8526	1.0926	3.1360	1.0922	3.8223	1.0925	2.9574
C4	1.8574	2.4743	2.8526		3.1360	1.0926	3.8223	1.0922	2.9574	1.0925
H5	2.4425	3.4136	1.0926	3.1360		3.0291	1.7615	4.1653	1.7756	3.3425
H6	2.4425	3.4136	3.1360	1.0926	3.0291		4.1653	1.7615	3.3425	1.7756
H7	2.4461	2.7949	1.0922	3.8223	1.7615	4.1653		4.7034	1.7773	3.9512
H8	2.4461	2.7949	3.8223	1.0922	4.1653	1.7615	4.7034		3.9512	1.7773
H9	2.5001	2.7008	1.0925	2.9574	1.7756	3.3425	1.7773	3.9512		2.6476
H10	2.5001	2.7008	2.9574	1.0925	3.3425	1.7756	3.9512	1.7773	2.6476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.011	P1	C3	H7	109.293
P1	C3	H9	113.327	P1	C4	H6	109.011
P1	C4	H8	109.293	P1	C4	H10	113.327
H2	P1	C3	97.047	H2	P1	C4	97.047
C3	P1	C4	100.334	H5	C3	H7	107.464
H5	C3	H9	108.701	H6	C4	H8	107.464
H6	C4	H10	108.701	H7	C3	H9	108.879
H8	C4	H10	108.879

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: mPW1PW91/6-31G**

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	0.274
2	H	-0.028
3	C	-0.591
4	C	-0.591
5	H	0.156
6	H	0.156
7	H	0.159
8	H	0.159
9	H	0.152
10	H	0.152

	x	y	z	Total
	0.511	1.371	0.000	1.463
CHELPG
AIM
ESP

	x	y	z
x	5.825	-0.346	0.000
y	-0.346	6.212	0.000
z	0.000	0.000	7.327

<r²>	82.323
(<r²>)^1/2	9.073

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)