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	hartrees
Energy at 0K	-421.728218
Energy at 298.15K	-421.735861
HF Energy	-421.728218
Nuclear repulsion energy	112.344865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3079	3079	16.00
2	A'	3073	3073	30.01
3	A'	2984	2984	18.68
4	A'	2299	2299	98.79
5	A'	1451	1451	7.50
6	A'	1451	1451	0.89
7	A'	1296	1296	0.02
8	A'	993	993	27.52
9	A'	945	945	28.20
10	A'	709	709	0.66
11	A'	632	632	1.93
12	A'	250	250	0.04
13	A'	188	188	0.24
14	A"	3079	3079	8.11
15	A"	3074	3074	0.05
16	A"	2986	2986	20.13
17	A"	1442	1442	5.21
18	A"	1436	1436	2.38
19	A"	1279	1279	0.26
20	A"	1005	1005	25.17
21	A"	812	812	0.82
22	A"	711	711	0.84
23	A"	677	677	13.91
24	A"	177	177	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.673	0.000
H2	1.370	-0.928	0.000
C3	-0.038	0.533	1.429
C4	-0.038	0.533	-1.429
H5	-1.034	0.988	1.505
H6	-1.034	0.988	-1.505
H7	0.156	-0.009	2.362
H8	0.156	-0.009	-2.362
H9	0.707	1.331	1.315
H10	0.707	1.331	-1.315

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4309	1.8699	1.8699	2.4532	2.4532	2.4615	2.4615	2.5102	2.5102
H2	1.4309		2.4816	2.4816	3.4228	3.4228	2.8105	2.8105	2.6966	2.6966
C3	1.8699	2.4816		2.8571	1.0975	3.1316	1.0970	3.8343	1.0972	2.9528
C4	1.8699	2.4816	2.8571		3.1316	1.0975	3.8343	1.0970	2.9528	1.0972
H5	2.4532	3.4228	1.0975	3.1316		3.0109	1.7729	4.1675	1.7843	3.3322
H6	2.4532	3.4228	3.1316	1.0975	3.0109		4.1675	1.7729	3.3322	1.7843
H7	2.4615	2.8105	1.0970	3.8343	1.7729	4.1675		4.7245	1.7876	3.9526
H8	2.4615	2.8105	3.8343	1.0970	4.1675	1.7729	4.7245		3.9526	1.7876
H9	2.5102	2.6966	1.0972	2.9528	1.7843	3.3322	1.7876	3.9526		2.6304
H10	2.5102	2.6966	2.9528	1.0972	3.3322	1.7843	3.9526	1.7876	2.6304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.717	P1	C3	H7	109.345
P1	C3	H9	112.964	P1	C4	H6	108.717
P1	C4	H8	109.345	P1	C4	H10	112.964
H2	P1	C3	96.592	H2	P1	C4	96.592
C3	P1	C4	99.633	H5	C3	H7	107.781
H5	C3	H9	108.780	H6	C4	H8	107.781
H6	C4	H10	108.780	H7	C3	H9	109.121
H8	C4	H10	109.121

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B97D3/6-31G(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	-0.071
2	H	0.048
3	C	-0.389
4	C	-0.389
5	H	0.133
6	H	0.133
7	H	0.139
8	H	0.139
9	H	0.129
10	H	0.129

	x	y	z	Total
	0.442	1.357	0.000	1.427
CHELPG
AIM
ESP

	x	y	z
x	6.162	-0.250	0.000
y	-0.250	6.743	0.000
z	0.000	0.000	7.890

<r²>	82.752
(<r²>)^1/2	9.097

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)