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	hartrees
Energy at 0K	-420.416746
Energy at 298.15K	-420.424425
HF Energy	-420.416746
Nuclear repulsion energy	113.501071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3065	3035	5.90
2	A'	3053	3024	14.64
3	A'	2966	2938	19.68
4	A'	2277	2255	85.99
5	A'	1427	1414	8.71
6	A'	1422	1408	23.46
7	A'	1297	1285	6.43
8	A'	991	981	50.42
9	A'	947	938	47.40
10	A'	715	708	1.06
11	A'	665	658	1.62
12	A'	247	245	0.40
13	A'	195	193	0.48
14	A"	3066	3036	2.24
15	A"	3057	3028	0.06
16	A"	2970	2942	11.33
17	A"	1413	1400	20.04
18	A"	1407	1394	0.01
19	A"	1277	1265	15.17
20	A"	996	986	27.96
21	A"	808	801	1.45
22	A"	728	721	14.28
23	A"	690	684	3.64
24	A"	183	181	0.06

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.669	0.000
H2	1.379	-0.913	0.000
C3	-0.038	0.527	1.398
C4	-0.038	0.527	-1.398
H5	-1.041	0.971	1.494
H6	-1.041	0.971	-1.494
H7	0.172	0.002	2.342
H8	0.172	0.002	-2.342
H9	0.692	1.343	1.279
H10	0.692	1.343	-1.279

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4378	1.8401	1.8401	2.4350	2.4350	2.4455	2.4455	2.4941	2.4941
H2	1.4378		2.4569	2.4569	3.4115	3.4115	2.7892	2.7892	2.6835	2.6835
C3	1.8401	2.4569		2.7961	1.1010	3.0935	1.1005	3.7827	1.1015	2.8925
C4	1.8401	2.4569	2.7961		3.0935	1.1010	3.7827	1.1005	2.8925	1.1015
H5	2.4350	3.4115	1.1010	3.0935		2.9889	1.7687	4.1388	1.7854	3.2916
H6	2.4350	3.4115	3.0935	1.1010	2.9889		4.1388	1.7687	3.2916	1.7854
H7	2.4455	2.7892	1.1005	3.7827	1.7687	4.1388		4.6843	1.7888	3.8966
H8	2.4455	2.7892	3.7827	1.1005	4.1388	1.7687	4.6843		3.8966	1.7888
H9	2.4941	2.6835	1.1015	2.8925	1.7854	3.2916	1.7888	3.8966		2.5583
H10	2.4941	2.6835	2.8925	1.1015	3.2916	1.7854	3.8966	1.7888	2.5583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.177	P1	C3	H7	109.974
P1	C3	H9	113.576	P1	C4	H6	109.177
P1	C4	H8	109.974	P1	C4	H10	113.576
H2	P1	C3	96.326	H2	P1	C4	96.326
C3	P1	C4	98.888	H5	C3	H7	106.918
H5	C3	H9	108.318	H6	C4	H8	106.918
H6	C4	H10	108.318	H7	C3	H9	108.652
H8	C4	H10	108.652

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: SVWN/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	0.263
2	H	0.071
3	C	-0.966
4	C	-0.966
5	H	0.269
6	H	0.269
7	H	0.273
8	H	0.273
9	H	0.258
10	H	0.258

	x	y	z	Total
	0.481	1.349	0.000	1.433
CHELPG
AIM
ESP

	x	y	z
x	6.659	-0.221	0.000
y	-0.221	7.082	0.000
z	0.000	0.000	7.984

<r²>	81.752
(<r²>)^1/2	9.042

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: SVWN/6-311G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)