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	hartrees
Energy at 0K	-421.511852
Energy at 298.15K	-421.519514
HF Energy	-421.511852
Nuclear repulsion energy	112.206964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3057	3025	15.35
2	A'	3050	3018	29.35
3	A'	2969	2938	24.43
4	A'	2273	2249	100.41
5	A'	1452	1437	7.49
6	A'	1448	1433	14.60
7	A'	1312	1298	1.56
8	A'	996	986	45.32
9	A'	953	943	41.55
10	A'	710	702	1.32
11	A'	639	633	2.10
12	A'	251	248	0.33
13	A'	189	187	0.35
14	A"	3057	3025	6.60
15	A"	3052	3020	0.52
16	A"	2971	2940	20.91
17	A"	1440	1425	14.78
18	A"	1435	1420	0.32
19	A"	1292	1278	3.99
20	A"	1002	991	29.30
21	A"	817	808	1.05
22	A"	711	703	1.89
23	A"	683	676	14.36
24	A"	183	181	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.672	0.000
H2	1.380	-0.920	0.000
C3	-0.038	0.532	1.429
C4	-0.038	0.532	-1.429
H5	-1.040	0.978	1.524
H6	-1.040	0.978	-1.524
H7	0.168	-0.010	2.364
H8	0.168	-0.010	-2.364
H9	0.697	1.343	1.322
H10	0.697	1.343	-1.322

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4400	1.8689	1.8689	2.4597	2.4597	2.4636	2.4636	2.5203	2.5203
H2	1.4400		2.4824	2.4824	3.4324	3.4324	2.8083	2.8083	2.7084	2.7084
C3	1.8689	2.4824		2.8580	1.1003	3.1503	1.1001	3.8369	1.1005	2.9606
C4	1.8689	2.4824	2.8580		3.1503	1.1003	3.8369	1.1001	2.9606	1.1005
H5	2.4597	3.4324	1.1003	3.1503		3.0490	1.7714	4.1896	1.7869	3.3544
H6	2.4597	3.4324	3.1503	1.1003	3.0490		4.1896	1.7714	3.3544	1.7869
H7	2.4636	2.8083	1.1001	3.8369	1.7714	4.1896		4.7278	1.7884	3.9617
H8	2.4636	2.8083	3.8369	1.1001	4.1896	1.7714	4.7278		3.9617	1.7884
H9	2.5203	2.7084	1.1005	2.9606	1.7869	3.3544	1.7884	3.9617		2.6432
H10	2.5203	2.7084	2.9606	1.1005	3.3544	1.7869	3.9617	1.7884	2.6432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.109	P1	C3	H7	109.410
P1	C3	H9	113.616	P1	C4	H6	109.109
P1	C4	H8	109.410	P1	C4	H10	113.616
H2	P1	C3	96.356	H2	P1	C4	96.356
C3	P1	C4	99.743	H5	C3	H7	107.228
H5	C3	H9	108.562	H6	C4	H8	107.228
H6	C4	H10	108.562	H7	C3	H9	108.719
H8	C4	H10	108.719

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: PBEPBEultrafine/6-311G*

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	0.241
2	H	0.060
3	C	-0.872
4	C	-0.872
5	H	0.241
6	H	0.241
7	H	0.246
8	H	0.246
9	H	0.234
10	H	0.234

	x	y	z	Total
	0.466	1.311	0.000	1.391
CHELPG
AIM
ESP

	x	y	z
x	6.588	-0.234	0.000
y	-0.234	7.070	0.000
z	0.000	0.000	8.108

<r²>	83.593
(<r²>)^1/2	9.143

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)