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	hartrees
Energy at 0K	-421.767402
Energy at 298.15K	-421.775067
HF Energy	-421.767402
Nuclear repulsion energy	112.202174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3067	3024	19.80
2	A'	3061	3017	36.07
3	A'	2978	2936	26.83
4	A'	2297	2264	103.71
5	A'	1454	1433	1.43
6	A'	1452	1431	14.11
7	A'	1311	1292	0.42
8	A'	1000	986	39.58
9	A'	956	942	36.36
10	A'	716	705	1.65
11	A'	630	621	2.57
12	A'	252	248	0.33
13	A'	189	186	0.27
14	A"	3067	3024	9.49
15	A"	3062	3018	0.82
16	A"	2980	2938	25.19
17	A"	1444	1423	9.79
18	A"	1439	1418	1.63
19	A"	1293	1274	0.69
20	A"	1009	995	28.80
21	A"	823	811	0.56
22	A"	719	709	0.09
23	A"	675	665	16.12
24	A"	173	171	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.674	0.000
H2	1.372	-0.927	0.000
C3	-0.038	0.534	1.432
C4	-0.038	0.534	-1.432
H5	-1.034	0.985	1.514
H6	-1.034	0.985	-1.514
H7	0.160	-0.008	2.363
H8	0.160	-0.008	-2.363
H9	0.704	1.334	1.319
H10	0.704	1.334	-1.319

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4324	1.8733	1.8733	2.4570	2.4570	2.4629	2.4629	2.5143	2.5143
H2	1.4324		2.4847	2.4847	3.4261	3.4261	2.8098	2.8098	2.7018	2.7018
C3	1.8733	2.4847		2.8632	1.0964	3.1420	1.0961	3.8383	1.0964	2.9590
C4	1.8733	2.4847	2.8632		3.1420	1.0964	3.8383	1.0961	2.9590	1.0964
H5	2.4570	3.4261	1.0964	3.1420		3.0281	1.7705	4.1767	1.7833	3.3419
H6	2.4570	3.4261	3.1420	1.0964	3.0281		4.1767	1.7705	3.3419	1.7833
H7	2.4629	2.8098	1.0961	3.8383	1.7705	4.1767		4.7259	1.7852	3.9565
H8	2.4629	2.8098	3.8383	1.0961	4.1767	1.7705	4.7259		3.9565	1.7852
H9	2.5143	2.7018	1.0964	2.9590	1.7833	3.3419	1.7852	3.9565		2.6381
H10	2.5143	2.7018	2.9590	1.0964	3.3419	1.7833	3.9565	1.7852	2.6381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.818	P1	C3	H7	109.263
P1	C3	H9	113.072	P1	C4	H6	108.818
P1	C4	H8	109.263	P1	C4	H10	113.072
H2	P1	C3	96.552	H2	P1	C4	96.552
C3	P1	C4	99.671	H5	C3	H7	107.710
H5	C3	H9	108.820	H6	C4	H8	107.710
H6	C4	H10	108.820	H7	C3	H9	109.017
H8	C4	H10	109.017

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B97D3/6-311G**

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	0.260
2	H	-0.016
3	C	-0.535
4	C	-0.535
5	H	0.137
6	H	0.137
7	H	0.142
8	H	0.142
9	H	0.133
10	H	0.133

	x	y	z	Total
	0.447	1.265	0.000	1.342
CHELPG
AIM
ESP

	x	y	z
x	6.655	-0.245	0.000
y	-0.245	7.170	0.000
z	0.000	0.000	8.229

<r²>	83.521
(<r²>)^1/2	9.139

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)