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	hartrees
Energy at 0K	-421.778690
Energy at 298.15K	-421.786336
HF Energy	-421.778690
Nuclear repulsion energy	112.684831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3061	3021	15.67
2	A'	3053	3013	30.31
3	A'	2973	2935	22.22
4	A'	2297	2267	89.18
5	A'	1449	1430	10.64
6	A'	1448	1429	2.27
7	A'	1298	1281	1.13
8	A'	990	978	24.07
9	A'	943	931	23.76
10	A'	708	699	1.07
11	A'	632	623	3.17
12	A'	252	248	0.19
13	A'	187	184	0.16
14	A"	3061	3021	8.38
15	A"	3054	3014	0.02
16	A"	2975	2936	22.45
17	A"	1440	1421	6.41
18	A"	1435	1416	2.67
19	A"	1282	1265	0.49
20	A"	1005	992	23.49
21	A"	813	803	0.39
22	A"	712	703	0.62
23	A"	678	669	16.50
24	A"	172	170	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.669	0.000
H2	1.364	-0.930	0.000
C3	-0.038	0.531	1.426
C4	-0.038	0.531	-1.426
H5	-1.030	0.987	1.501
H6	-1.030	0.987	-1.501
H7	0.151	-0.013	2.357
H8	0.151	-0.013	-2.357
H9	0.708	1.323	1.317
H10	0.708	1.323	-1.317

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4263	1.8634	1.8634	2.4453	2.4453	2.4533	2.4533	2.5017	2.5017
H2	1.4263		2.4768	2.4768	3.4149	3.4149	2.8048	2.8048	2.6912	2.6912
C3	1.8634	2.4768		2.8523	1.0945	3.1244	1.0939	3.8262	1.0943	2.9510
C4	1.8634	2.4768	2.8523		3.1244	1.0945	3.8262	1.0939	2.9510	1.0943
H5	2.4453	3.4149	1.0945	3.1244		3.0025	1.7680	4.1565	1.7801	3.3279
H6	2.4453	3.4149	3.1244	1.0945	3.0025		4.1565	1.7680	3.3279	1.7801
H7	2.4533	2.8048	1.0939	3.8262	1.7680	4.1565		4.7130	1.7827	3.9482
H8	2.4533	2.8048	3.8262	1.0939	4.1565	1.7680	4.7130		3.9482	1.7827
H9	2.5017	2.6912	1.0943	2.9510	1.7801	3.3279	1.7827	3.9482		2.6332
H10	2.5017	2.6912	2.9510	1.0943	3.3279	1.7801	3.9482	1.7827	2.6332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.734	P1	C3	H7	109.318
P1	C3	H9	113.133	P1	C4	H6	108.734
P1	C4	H8	109.318	P1	C4	H10	113.133
H2	P1	C3	96.600	H2	P1	C4	96.600
C3	P1	C4	100.000	H5	C3	H7	107.761
H5	C3	H9	108.762	H6	C4	H8	107.761
H6	C4	H10	108.762	H7	C3	H9	108.994
H8	C4	H10	108.994

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.035
2	H	0.003
3	C	-0.454
4	C	-0.454
5	H	0.147
6	H	0.147
7	H	0.145
8	H	0.145
9	H	0.143
10	H	0.143

	x	y	z	Total
	0.398	1.242	0.000	1.304
CHELPG
AIM
ESP

	x	y	z
x	7.330	-0.083	0.000
y	-0.083	8.291	0.000
z	0.000	0.000	9.365

<r²>	82.906
(<r²>)^1/2	9.105

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)