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	hartrees
Energy at 0K	-21.983405
Energy at 298.15K	-21.990988
HF Energy	-21.983405
Nuclear repulsion energy	43.037462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3050	52.59
2	A'	3143	3043	61.05
3	A'	3040	2944	35.79
4	A'	2205	2135	192.34
5	A'	1492	1444	6.63
6	A'	1488	1441	24.87
7	A'	1356	1314	2.18
8	A'	1027	994	54.42
9	A'	991	960	54.55
10	A'	713	690	5.10
11	A'	613	594	1.48
12	A'	237	229	0.15
13	A'	170	164	0.28
14	A"	3148	3049	7.28
15	A"	3142	3043	14.78
16	A"	3041	2945	43.94
17	A"	1482	1436	14.57
18	A"	1478	1431	0.04
19	A"	1337	1295	3.99
20	A"	1021	988	30.14
21	A"	853	827	0.95
22	A"	732	709	0.07
23	A"	666	645	7.86
24	A"	154	149	0.07

Atom	x (Å)	y (Å)	z (Å)
P1	-0.040	-0.693	0.000
H2	1.406	-0.940	0.000
C3	-0.040	0.552	1.473
C4	-0.040	0.552	-1.473
H5	-1.048	0.986	1.568
H6	-1.048	0.986	-1.568
H7	0.187	0.003	2.401
H8	0.187	0.003	-2.401
H9	0.695	1.364	1.341
H10	0.695	1.364	-1.341

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4665	1.9281	1.9281	2.5087	2.5087	2.5100	2.5100	2.5631	2.5631
H2	1.4665		2.5462	2.5462	3.4914	3.4914	2.8526	2.8526	2.7589	2.7589
C3	1.9281	2.5462		2.9451	1.1022	3.2325	1.1025	3.9189	1.1032	3.0192
C4	1.9281	2.5462	2.9451		3.2325	1.1022	3.9189	1.1025	3.0192	1.1032
H5	2.5087	3.4914	1.1022	3.2325		3.1356	1.7857	4.2715	1.7985	3.4123
H6	2.5087	3.4914	3.2325	1.1022	3.1356		4.2715	1.7857	3.4123	1.7985
H7	2.5100	2.8526	1.1025	3.9189	1.7857	4.2715		4.8020	1.7987	4.0142
H8	2.5100	2.8526	3.9189	1.1025	4.2715	1.7857	4.8020		4.0142	1.7987
H9	2.5631	2.7589	1.1032	3.0192	1.7985	3.4123	1.7987	4.0142		2.6820
H10	2.5631	2.7589	3.0192	1.1032	3.4123	1.7985	4.0142	1.7987	2.6820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.679	P1	C3	H7	108.755
P1	C3	H9	112.596	P1	C4	H6	108.679
P1	C4	H8	108.755	P1	C4	H10	112.596
H2	P1	C3	96.244	H2	P1	C4	96.244
C3	P1	C4	99.585	H5	C3	H7	108.181
H5	C3	H9	109.264	H6	C4	H8	108.181
H6	C4	H10	109.264	H7	C3	H9	109.268
H8	C4	H10	109.268

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3LYP/CEP-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	0.193
2	H	-0.051
3	C	-0.605
4	C	-0.605
5	H	0.179
6	H	0.179
7	H	0.186
8	H	0.186
9	H	0.170
10	H	0.170

	x	y	z	Total
	0.732	1.451	0.000	1.625
CHELPG
AIM
ESP

	x	y	z
x	5.605	-0.413	0.000
y	-0.413	6.431	0.000
z	0.000	0.000	7.815

<r²>	71.335
(<r²>)^1/2	8.446

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)