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	hartrees
Energy at 0K	-421.559506
Energy at 298.15K	-421.567237
HF Energy	-421.559506
Nuclear repulsion energy	113.223230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3024	9.33
2	A'	3151	3018	17.29
3	A'	3057	2928	13.26
4	A'	2383	2282	84.86
5	A'	1472	1410	7.80
6	A'	1472	1409	4.36
7	A'	1321	1265	0.86
8	A'	1009	967	30.33
9	A'	963	922	31.68
10	A'	719	689	1.04
11	A'	670	642	1.45
12	A'	253	242	0.05
13	A'	193	184	0.28
14	A"	3159	3025	3.66
15	A"	3152	3019	0.06
16	A"	3060	2930	12.54
17	A"	1463	1401	6.40
18	A"	1456	1395	2.89
19	A"	1304	1249	0.63
20	A"	1027	983	26.30
21	A"	823	788	0.92
22	A"	733	702	10.76
23	A"	707	677	4.64
24	A"	184	177	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.661	0.000
H2	1.360	-0.933	0.000
C3	-0.038	0.525	1.420
C4	-0.038	0.525	-1.420
H5	-1.031	0.975	1.503
H6	-1.031	0.975	-1.503
H7	0.157	-0.021	2.346
H8	0.157	-0.021	-2.346
H9	0.702	1.323	1.313
H10	0.702	1.323	-1.313

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4242	1.8503	1.8503	2.4340	2.4340	2.4399	2.4399	2.4919	2.4919
H2	1.4242		2.4689	2.4689	3.4086	3.4086	2.7903	2.7903	2.6916	2.6916
C3	1.8503	2.4689		2.8394	1.0937	3.1198	1.0932	3.8104	1.0933	2.9417
C4	1.8503	2.4689	2.8394		3.1198	1.0937	3.8104	1.0932	2.9417	1.0933
H5	2.4340	3.4086	1.0937	3.1198		3.0065	1.7646	4.1500	1.7783	3.3256
H6	2.4340	3.4086	3.1198	1.0937	3.0065		4.1500	1.7646	3.3256	1.7783
H7	2.4399	2.7903	1.0932	3.8104	1.7646	4.1500		4.6927	1.7809	3.9367
H8	2.4399	2.7903	3.8104	1.0932	4.1500	1.7646	4.6927		3.9367	1.7809
H9	2.4919	2.6916	1.0933	2.9417	1.7783	3.3256	1.7809	3.9367		2.6267
H10	2.4919	2.6916	2.9417	1.0933	3.3256	1.7783	3.9367	1.7809	2.6267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.804	P1	C3	H7	109.263
P1	C3	H9	113.155	P1	C4	H6	108.804
P1	C4	H8	109.263	P1	C4	H10	113.155
H2	P1	C3	97.017	H2	P1	C4	97.017
C3	P1	C4	100.224	H5	C3	H7	107.586
H5	C3	H9	108.805	H6	C4	H8	107.586
H6	C4	H10	108.805	H7	C3	H9	109.078
H8	C4	H10	109.078

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.046
2	H	0.059
3	C	-0.475
4	C	-0.475
5	H	0.156
6	H	0.156
7	H	0.162
8	H	0.162
9	H	0.151
10	H	0.151

	x	y	z	Total
	0.470	1.395	0.000	1.472
CHELPG
AIM
ESP

	x	y	z
x	6.067	-0.254	0.000
y	-0.254	6.579	0.000
z	0.000	0.000	7.681

<r²>	81.806
(<r²>)^1/2	9.045

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)