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	hartrees
Energy at 0K	-421.689696
Energy at 298.15K	-421.697441
HF Energy	-421.689696
Nuclear repulsion energy	112.919070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3010	15.58
2	A'	3158	3007	16.05
3	A'	3066	2919	17.01
4	A'	2408	2293	108.25
5	A'	1491	1419	14.14
6	A'	1485	1414	9.18
7	A'	1346	1282	2.69
8	A'	1007	959	29.11
9	A'	971	925	32.81
10	A'	701	668	2.92
11	A'	658	626	3.25
12	A'	262	250	0.64
13	A'	194	184	0.08
14	A"	3163	3011	2.49
15	A"	3159	3008	2.31
16	A"	3069	2922	19.13
17	A"	1481	1410	7.67
18	A"	1473	1403	5.80
19	A"	1328	1265	3.92
20	A"	1036	986	28.42
21	A"	835	796	0.39
22	A"	734	699	10.88
23	A"	711	677	6.77
24	A"	187	178	0.06

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.672	0.000
H2	1.357	-0.933	0.000
C3	-0.038	0.532	1.418
C4	-0.038	0.532	-1.418
H5	-1.028	0.989	1.495
H6	-1.028	0.989	-1.495
H7	0.153	-0.002	2.352
H8	0.153	-0.002	-2.352
H9	0.707	1.324	1.303
H10	0.707	1.324	-1.303

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4191	1.8603	1.8603	2.4442	2.4442	2.4528	2.4528	2.4973	2.4973
H2	1.4191		2.4708	2.4708	3.4088	3.4088	2.8014	2.8014	2.6866	2.6866
C3	1.8603	2.4708		2.8361	1.0934	3.1105	1.0928	3.8125	1.0933	2.9301
C4	1.8603	2.4708	2.8361		3.1105	1.0934	3.8125	1.0928	2.9301	1.0933
H5	2.4442	3.4088	1.0934	3.1105		2.9900	1.7642	4.1445	1.7777	3.3093
H6	2.4442	3.4088	3.1105	1.0934	2.9900		4.1445	1.7642	3.3093	1.7777
H7	2.4528	2.8014	1.0928	3.8125	1.7642	4.1445		4.7038	1.7797	3.9274
H8	2.4528	2.8014	3.8125	1.0928	4.1445	1.7642	4.7038		3.9274	1.7797
H9	2.4973	2.6866	1.0933	2.9301	1.7777	3.3093	1.7797	3.9274		2.6057
H10	2.4973	2.6866	2.9301	1.0933	3.3093	1.7777	3.9274	1.7797	2.6057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.906	P1	C3	H7	109.558
P1	C3	H9	112.868	P1	C4	H6	108.906
P1	C4	H8	109.558	P1	C4	H10	112.868
H2	P1	C3	96.855	H2	P1	C4	96.855
C3	P1	C4	99.333	H5	C3	H7	107.604
H5	C3	H9	108.774	H6	C4	H8	107.604
H6	C4	H10	108.774	H7	C3	H9	108.993
H8	C4	H10	108.993

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: M06-2X/6-31+G**

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	0.308
2	H	-0.030
3	C	-0.681
4	C	-0.681
5	H	0.182
6	H	0.182
7	H	0.184
8	H	0.184
9	H	0.176
10	H	0.176

	x	y	z	Total
	0.494	1.216	0.000	1.313
CHELPG
AIM
ESP

	x	y	z
x	6.548	-0.194	0.000
y	-0.194	7.257	0.000
z	0.000	0.000	8.195

<r²>	82.661
(<r²>)^1/2	9.092

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)