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	hartrees
Energy at 0K	-420.317474
Energy at 298.15K	-420.325094
HF Energy	-420.317474
Nuclear repulsion energy	111.346839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	3060	6.08
2	A'	3110	3047	17.08
3	A'	3000	2940	16.94
4	A'	2171	2127	129.99
5	A'	1463	1433	9.58
6	A'	1458	1429	27.55
7	A'	1326	1299	7.15
8	A'	1004	984	35.34
9	A'	973	953	53.81
10	A'	707	692	2.79
11	A'	637	624	0.50
12	A'	236	231	0.10
13	A'	178	174	0.32
14	A"	3123	3060	2.73
15	A"	3112	3049	0.56
16	A"	3005	2944	10.62
17	A"	1450	1421	23.25
18	A"	1447	1417	0.22
19	A"	1308	1281	13.94
20	A"	995	974	21.57
21	A"	842	825	1.80
22	A"	721	706	1.54
23	A"	691	677	7.52
24	A"	170	167	0.09

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.691	0.000
H2	1.406	-0.943	0.000
C3	-0.039	0.548	1.430
C4	-0.039	0.548	-1.430
H5	-1.050	0.980	1.516
H6	-1.050	0.980	-1.516
H7	0.189	0.021	2.370
H8	0.189	0.021	-2.370
H9	0.689	1.362	1.279
H10	0.689	1.362	-1.279

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4675	1.8916	1.8916	2.4715	2.4715	2.4850	2.4850	2.5255	2.5255
H2	1.4675		2.5211	2.5211	3.4677	3.4677	2.8334	2.8334	2.7311	2.7311
C3	1.8916	2.5211		2.8596	1.1020	3.1437	1.1014	3.8428	1.1028	2.9206
C4	1.8916	2.5211	2.8596		3.1437	1.1020	3.8428	1.1014	2.9206	1.1028
H5	2.4715	3.4677	1.1020	3.1437		3.0313	1.7839	4.1892	1.7961	3.3134
H6	2.4715	3.4677	3.1437	1.1020	3.0313		4.1892	1.7839	3.3134	1.7961
H7	2.4850	2.8334	1.1014	3.8428	1.7839	4.1892		4.7398	1.7994	3.9192
H8	2.4850	2.8334	3.8428	1.1014	4.1892	1.7839	4.7398		3.9192	1.7994
H9	2.5255	2.7311	1.1028	2.9206	1.7961	3.3134	1.7994	3.9192		2.5577
H10	2.5255	2.7311	2.9206	1.1028	3.3134	1.7961	3.9192	1.7994	2.5577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.394	P1	C3	H7	109.396
P1	C3	H9	112.312	P1	C4	H6	108.394
P1	C4	H8	109.396	P1	C4	H10	112.312
H2	P1	C3	96.456	H2	P1	C4	96.456
C3	P1	C4	98.201	H5	C3	H7	108.108
H5	C3	H9	109.098	H6	C4	H8	108.108
H6	C4	H10	109.098	H7	C3	H9	109.437
H8	C4	H10	109.437

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: LSDA/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	0.286
2	H	0.016
3	C	-0.741
4	C	-0.741
5	H	0.199
6	H	0.199
7	H	0.201
8	H	0.201
9	H	0.190
10	H	0.190

	x	y	z	Total
	0.643	1.563	0.000	1.691
CHELPG
AIM
ESP

	x	y	z
x	5.978	-0.397	0.000
y	-0.397	6.261	0.000
z	0.000	0.000	7.359

<r²>	83.921
(<r²>)^1/2	9.161

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)