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	hartrees
Energy at 0K	-421.739671
Energy at 298.15K	-421.747525
HF Energy	-421.739671
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3170	11.89
2	A'	3160	3160	25.36
3	A'	3068	3068	17.21
4	A'	2383	2383	109.25
5	A'	1506	1506	5.45
6	A'	1501	1501	12.97
7	A'	1367	1367	2.25
8	A'	1039	1039	37.52
9	A'	990	990	33.50
10	A'	744	744	1.81
11	A'	675	675	1.62
12	A'	268	268	0.24
13	A'	208	208	0.15
14	A"	3170	3170	7.01
15	A"	3161	3161	0.14
16	A"	3070	3070	16.10
17	A"	1498	1498	9.08
18	A"	1486	1486	2.80
19	A"	1351	1351	3.82
20	A"	1047	1047	28.33
21	A"	853	853	1.12
22	A"	740	740	3.58
23	A"	718	718	10.80
24	A"	211	211	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.667	0.000
H2	1.357	-0.938	0.000
C3	-0.038	0.529	1.423
C4	-0.038	0.529	-1.423
H5	-1.026	0.992	1.500
H6	-1.026	0.992	-1.500
H7	0.147	-0.012	2.354
H8	0.147	-0.012	-2.354
H9	0.712	1.318	1.317
H10	0.712	1.318	-1.317

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4205	1.8584	1.8584	2.4448	2.4448	2.4508	2.4508	2.4969	2.4969
H2	1.4205		2.4737	2.4737	3.4129	3.4129	2.8041	2.8041	2.6903	2.6903
C3	1.8584	2.4737		2.8453	1.0935	3.1198	1.0930	3.8200	1.0934	2.9476
C4	1.8584	2.4737	2.8453		3.1198	1.0935	3.8200	1.0930	2.9476	1.0934
H5	2.4448	3.4129	1.0935	3.1198		3.0005	1.7641	4.1522	1.7769	3.3255
H6	2.4448	3.4129	3.1198	1.0935	3.0005		4.1522	1.7641	3.3255	1.7769
H7	2.4508	2.8041	1.0930	3.8200	1.7641	4.1522		4.7088	1.7786	3.9450
H8	2.4508	2.8041	3.8200	1.0930	4.1522	1.7641	4.7088		3.9450	1.7786
H9	2.4969	2.6903	1.0934	2.9476	1.7769	3.3255	1.7786	3.9450		2.6334
H10	2.4969	2.6903	2.9476	1.0934	3.3255	1.7769	3.9450	1.7786	2.6334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.069	P1	C3	H7	109.532
P1	C3	H9	112.962	P1	C4	H6	109.069
P1	C4	H8	109.532	P1	C4	H10	112.962
H2	P1	C3	97.048	H2	P1	C4	97.048
C3	P1	C4	99.910	H5	C3	H7	107.575
H5	C3	H9	108.685	H6	C4	H8	107.575
H6	C4	H10	108.685	H7	C3	H9	108.872
H8	C4	H10	108.872

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: wB97X-D/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	0.278
2	H	-0.037
3	C	-0.562
4	C	-0.562
5	H	0.147
6	H	0.147
7	H	0.151
8	H	0.151
9	H	0.143
10	H	0.143

	x	y	z	Total
	0.516	1.350	0.000	1.445
CHELPG
AIM
ESP

	x	y	z
x	5.852	-0.357	0.000
y	-0.357	6.210	0.000
z	0.000	0.000	7.310

<r²>	82.265
(<r²>)^1/2	9.070

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: wB97X-D/6-31G**

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)