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	hartrees
Energy at 0K	-421.581328
Energy at 298.15K	-421.589095
HF Energy	-421.581328
Nuclear repulsion energy	113.096784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3015	14.26
2	A'	3136	3009	27.97
3	A'	3051	2928	23.08
4	A'	2363	2268	101.85
5	A'	1496	1435	9.45
6	A'	1492	1432	14.25
7	A'	1358	1303	2.48
8	A'	1029	987	48.20
9	A'	985	945	44.06
10	A'	730	700	1.90
11	A'	671	644	2.04
12	A'	256	245	0.36
13	A'	195	187	0.34
14	A"	3143	3016	6.95
15	A"	3137	3010	0.21
16	A"	3053	2930	20.36
17	A"	1483	1423	14.37
18	A"	1479	1419	0.48
19	A"	1339	1285	6.03
20	A"	1039	997	32.13
21	A"	844	810	0.82
22	A"	736	707	5.02
23	A"	714	686	11.29
24	A"	183	176	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.665	0.000
H2	1.364	-0.928	0.000
C3	-0.038	0.527	1.419
C4	-0.038	0.527	-1.419
H5	-1.029	0.978	1.509
H6	-1.029	0.978	-1.509
H7	0.158	-0.012	2.348
H8	0.158	-0.012	-2.348
H9	0.700	1.327	1.316
H10	0.700	1.327	-1.316

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4265	1.8532	1.8532	2.4411	2.4411	2.4454	2.4454	2.4985	2.4985
H2	1.4265		2.4689	2.4689	3.4112	3.4112	2.7944	2.7944	2.6937	2.6937
C3	1.8532	2.4689		2.8378	1.0927	3.1237	1.0924	3.8108	1.0928	2.9431
C4	1.8532	2.4689	2.8378		3.1237	1.0927	3.8108	1.0924	2.9431	1.0928
H5	2.4411	3.4112	1.0927	3.1237		3.0177	1.7592	4.1556	1.7741	3.3299
H6	2.4411	3.4112	3.1237	1.0927	3.0177		4.1556	1.7592	3.3299	1.7741
H7	2.4454	2.7944	1.0924	3.8108	1.7592	4.1556		4.6970	1.7757	3.9387
H8	2.4454	2.7944	3.8108	1.0924	4.1556	1.7592	4.6970		3.9387	1.7757
H9	2.4985	2.6937	1.0928	2.9431	1.7741	3.3299	1.7757	3.9387		2.6315
H10	2.4985	2.6937	2.9431	1.0928	3.3299	1.7741	3.9387	1.7757	2.6315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.180	P1	C3	H7	109.511
P1	C3	H9	113.486	P1	C4	H6	109.180
P1	C4	H8	109.511	P1	C4	H10	113.486
H2	P1	C3	96.804	H2	P1	C4	96.804
C3	P1	C4	99.930	H5	C3	H7	107.238
H5	C3	H9	108.532	H6	C4	H8	107.238
H6	C4	H10	108.532	H7	C3	H9	108.702
H8	C4	H10	108.702

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: HSEh1PBE/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	0.266
2	H	0.053
3	C	-0.906
4	C	-0.906
5	H	0.250
6	H	0.250
7	H	0.254
8	H	0.254
9	H	0.243
10	H	0.243

	x	y	z	Total
	0.493	1.330	0.000	1.418
CHELPG
AIM
ESP

	x	y	z
x	6.391	-0.256	0.000
y	-0.256	6.807	0.000
z	0.000	0.000	7.778

<r²>	82.494
(<r²>)^1/2	9.083

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)