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	hartrees
Energy at 0K	-421.767179
Energy at 298.15K	-421.774899
HF Energy	-421.767179
Nuclear repulsion energy	113.079290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3125	3016	10.50
2	A'	3119	3010	19.94
3	A'	3037	2931	16.54
4	A'	2364	2282	82.43
5	A'	1468	1417	10.19
6	A'	1467	1416	4.78
7	A'	1318	1272	1.85
8	A'	1003	968	25.06
9	A'	959	926	26.51
10	A'	713	688	1.27
11	A'	659	636	2.52
12	A'	250	242	0.16
13	A'	189	183	0.18
14	A"	3126	3017	4.30
15	A"	3121	3012	0.07
16	A"	3039	2933	15.79
17	A"	1459	1408	6.35
18	A"	1454	1403	3.12
19	A"	1302	1257	1.67
20	A"	1022	986	23.59
21	A"	825	796	0.53
22	A"	726	700	5.00
23	A"	706	681	11.40
24	A"	180	174	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.660	0.000
H2	1.359	-0.935	0.000
C3	-0.038	0.525	1.427
C4	-0.038	0.525	-1.427
H5	-1.028	0.975	1.511
H6	-1.028	0.975	-1.511
H7	0.155	-0.025	2.349
H8	0.155	-0.025	-2.349
H9	0.703	1.318	1.325
H10	0.703	1.318	-1.325

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4239	1.8542	1.8542	2.4365	2.4365	2.4403	2.4403	2.4936	2.4936
H2	1.4239		2.4732	2.4732	3.4102	3.4102	2.7917	2.7917	2.6948	2.6948
C3	1.8542	2.4732		2.8533	1.0910	3.1328	1.0906	3.8199	1.0907	2.9581
C4	1.8542	2.4732	2.8533		3.1328	1.0910	3.8199	1.0906	2.9581	1.0907
H5	2.4365	3.4102	1.0910	3.1328		3.0225	1.7608	4.1590	1.7747	3.3405
H6	2.4365	3.4102	3.1328	1.0910	3.0225		4.1590	1.7608	3.3405	1.7747
H7	2.4403	2.7917	1.0906	3.8199	1.7608	4.1590		4.6971	1.7761	3.9498
H8	2.4403	2.7917	3.8199	1.0906	4.1590	1.7608	4.6971		3.9498	1.7761
H9	2.4936	2.6948	1.0907	2.9581	1.7747	3.3405	1.7761	3.9498		2.6499
H10	2.4936	2.6948	2.9581	1.0907	3.3405	1.7747	3.9498	1.7761	2.6499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.864	P1	C3	H7	109.161
P1	C3	H9	113.147	P1	C4	H6	108.864
P1	C4	H8	109.161	P1	C4	H10	113.147
H2	P1	C3	97.083	H2	P1	C4	97.083
C3	P1	C4	100.601	H5	C3	H7	107.626
H5	C3	H9	108.870	H6	C4	H8	107.626
H6	C4	H10	108.870	H7	C3	H9	109.025
H8	C4	H10	109.025

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3PW91/aug-cc-pVTZ

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	-0.049
2	H	0.075
3	C	-0.672
4	C	-0.672
5	H	0.234
6	H	0.234
7	H	0.204
8	H	0.204
9	H	0.222
10	H	0.222

	x	y	z	Total
	0.432	1.263	0.000	1.335
CHELPG
AIM
ESP

	x	y	z
x	7.282	-0.060	0.000
y	-0.060	8.162	0.000
z	0.000	0.000	9.211

<r²>	82.440
(<r²>)^1/2	9.080

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)