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	hartrees
Energy at 0K	-420.549151
Energy at 298.15K	-420.557102
HF Energy	-420.549151
Nuclear repulsion energy	112.774906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	2968	25.38
2	A'	3265	2964	29.57
3	A'	3176	2884	20.95
4	A'	2503	2272	124.02
5	A'	1574	1429	10.78
6	A'	1572	1427	3.27
7	A'	1434	1302	0.84
8	A'	1086	986	29.81
9	A'	1037	941	27.38
10	A'	762	692	2.16
11	A'	699	635	1.97
12	A'	275	250	0.22
13	A'	208	189	0.09
14	A"	3269	2968	8.71
15	A"	3264	2964	1.61
16	A"	3177	2884	30.22
17	A"	1565	1421	5.24
18	A"	1559	1416	3.47
19	A"	1418	1287	0.30
20	A"	1111	1008	31.53
21	A"	890	808	0.57
22	A"	772	701	0.78
23	A"	749	680	15.49
24	A"	195	177	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.659	0.000
H2	1.348	-0.965	0.000
C3	-0.038	0.526	1.434
C4	-0.038	0.526	-1.434
H5	-1.023	0.990	1.511
H6	-1.023	0.990	-1.511
H7	0.143	-0.027	2.358
H8	0.143	-0.027	-2.358
H9	0.715	1.310	1.338
H10	0.715	1.310	-1.338

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4196	1.8601	1.8601	2.4446	2.4446	2.4475	2.4475	2.4972	2.4972
H2	1.4196		2.4901	2.4901	3.4254	3.4254	2.8094	2.8094	2.7147	2.7147
C3	1.8601	2.4901		2.8677	1.0923	3.1404	1.0918	3.8359	1.0916	2.9774
C4	1.8601	2.4901	2.8677		3.1404	1.0923	3.8359	1.0918	2.9774	1.0916
H5	2.4446	3.4254	1.0923	3.1404		3.0230	1.7637	4.1671	1.7762	3.3531
H6	2.4446	3.4254	3.1404	1.0923	3.0230		4.1671	1.7637	3.3531	1.7762
H7	2.4475	2.8094	1.0918	3.8359	1.7637	4.1671		4.7154	1.7769	3.9717
H8	2.4475	2.8094	3.8359	1.0918	4.1671	1.7637	4.7154		3.9717	1.7769
H9	2.4972	2.7147	1.0916	2.9774	1.7762	3.3531	1.7769	3.9717		2.6757
H10	2.4972	2.7147	2.9774	1.0916	3.3531	1.7762	3.9717	1.7769	2.6757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.001	P1	C3	H7	109.239
P1	C3	H9	112.958	P1	C4	H6	109.001
P1	C4	H8	109.239	P1	C4	H10	112.958
H2	P1	C3	97.895	H2	P1	C4	97.895
C3	P1	C4	100.857	H5	C3	H7	107.711
H5	C3	H9	108.848	H6	C4	H8	107.711
H6	C4	H10	108.848	H7	C3	H9	108.949
H8	C4	H10	108.949

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: HF/cc-pVDZ

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	0.173
2	H	-0.044
3	C	-0.233
4	C	-0.233
5	H	0.057
6	H	0.057
7	H	0.060
8	H	0.060
9	H	0.052
10	H	0.052

	x	y	z	Total
	0.456	1.181	0.000	1.266
CHELPG
AIM
ESP

	x	y	z
x	5.984	-0.463	0.000
y	-0.463	6.287	0.000
z	0.000	0.000	7.601

<r²>	83.117
(<r²>)^1/2	9.117

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)