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	hartrees
Energy at 0K	-419.669782
Energy at 298.15K	-419.677621
HF Energy	-419.669782
Nuclear repulsion energy	113.346282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3012	12.97
2	A'	3149	3007	18.77
3	A'	3065	2927	14.48
4	A'	2450	2339	88.52
5	A'	1547	1478	6.84
6	A'	1543	1473	20.47
7	A'	1401	1338	5.88
8	A'	1068	1019	42.77
9	A'	1012	966	43.42
10	A'	773	738	0.41
11	A'	687	656	1.54
12	A'	256	245	0.12
13	A'	193	185	0.28
14	A"	3155	3013	4.47
15	A"	3150	3008	0.50
16	A"	3068	2929	13.60
17	A"	1535	1466	16.98
18	A"	1531	1462	0.00
19	A"	1386	1323	11.23
20	A"	1071	1023	27.47
21	A"	872	833	2.87
22	A"	768	734	1.26
23	A"	729	696	13.91
24	A"	185	176	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.671	0.000
H2	1.361	-0.902	0.000
C3	-0.038	0.530	1.409
C4	-0.038	0.530	-1.409
H5	-1.033	0.974	1.502
H6	-1.033	0.974	-1.502
H7	0.178	0.001	2.341
H8	0.178	0.001	-2.341
H9	0.693	1.332	1.278
H10	0.693	1.332	-1.278

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4187	1.8511	1.8511	2.4401	2.4401	2.4454	2.4454	2.4860	2.4860
H2	1.4187		2.4482	2.4482	3.3929	3.3929	2.7742	2.7742	2.6591	2.6591
C3	1.8511	2.4482		2.8173	1.0938	3.1082	1.0935	3.7930	1.0933	2.8973
C4	1.8511	2.4482	2.8173		3.1082	1.0938	3.7930	1.0935	2.8973	1.0933
H5	2.4401	3.3929	1.0938	3.1082		3.0045	1.7660	4.1456	1.7771	3.2917
H6	2.4401	3.3929	3.1082	1.0938	3.0045		4.1456	1.7660	3.2917	1.7771
H7	2.4454	2.7742	1.0935	3.7930	1.7660	4.1456		4.6822	1.7795	3.8899
H8	2.4454	2.7742	3.7930	1.0935	4.1456	1.7660	4.6822		3.8899	1.7795
H9	2.4860	2.6591	1.0933	2.8973	1.7771	3.2917	1.7795	3.8899		2.5554
H10	2.4860	2.6591	2.8973	1.0933	3.2917	1.7771	3.8899	1.7795	2.5554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.188	P1	C3	H7	109.591
P1	C3	H9	112.644	P1	C4	H6	109.188
P1	C4	H8	109.591	P1	C4	H10	112.644
H2	P1	C3	96.055	H2	P1	C4	96.055
C3	P1	C4	99.098	H5	C3	H7	107.676
H5	C3	H9	108.685	H6	C4	H8	107.676
H6	C4	H10	108.685	H7	C3	H9	108.930
H8	C4	H10	108.930

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B1B95/3-21G*

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	0.344
2	H	0.031
3	C	-0.852
4	C	-0.852
5	H	0.221
6	H	0.221
7	H	0.225
8	H	0.225
9	H	0.218
10	H	0.218

	x	y	z	Total
	0.458	1.286	0.000	1.365
CHELPG
AIM
ESP

	x	y	z
x	5.469	-0.370	0.000
y	-0.370	5.692	0.000
z	0.000	0.000	6.780

<r²>	81.573
(<r²>)^1/2	9.032

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)