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	hartrees
Energy at 0K	-117.627385
Energy at 298.15K
HF Energy	-117.540582
Nuclear repulsion energy	75.108489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3213	25.24
2	A'	3131	3131	16.23
3	A'	3075	3075	42.03
4	A'	3002	3002	37.42
5	A'	1583	1583	5.48
6	A'	1573	1573	15.00
7	A'	1488	1488	5.48
8	A'	1229	1229	6.10
9	A'	1090	1090	1.65
10	A'	871	871	1.40
11	A'	406	406	13.40
12	A'	354	354	17.55
13	A'	131	131	0.34
14	A"	3132	3132	24.06
15	A"	3073	3073	5.66
16	A"	2999	2999	15.50
17	A"	1571	1571	1.82
18	A"	1560	1560	0.60
19	A"	1472	1472	4.54
20	A"	1416	1416	8.56
21	A"	1138	1138	0.63
22	A"	1003	1003	1.17
23	A"	989	989	0.72
24	A"	125	125	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.549	0.000
C2	-0.012	-0.203	1.302
C3	-0.012	-0.203	-1.302
H4	0.258	1.599	0.000
H5	-0.767	-0.998	1.292
H6	-0.767	-0.998	-1.292
H7	0.960	-0.688	1.489
H8	-0.218	0.458	2.148
H9	0.960	-0.688	-1.489
H10	-0.218	0.458	-2.148

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5030	1.5030	1.0838	2.1520	2.1520	2.1663	2.1597	2.1663	2.1597
C2	1.5030		2.6032	2.2387	1.0968	2.8156	1.1023	1.0934	2.9948	3.5183
C3	1.5030	2.6032		2.2387	2.8156	1.0968	2.9948	3.5183	1.1023	1.0934
H4	1.0838	2.2387	2.2387		3.0756	3.0756	2.8180	2.4780	2.8180	2.4780
H5	2.1520	1.0968	2.8156	3.0756		2.5832	1.7658	1.7760	3.2883	3.7751
H6	2.1520	2.8156	1.0968	3.0756	2.5832		3.2883	3.7751	1.7658	1.7760
H7	2.1663	1.1023	2.9948	2.8180	1.7658	3.2883		1.7707	2.9787	3.9914
H8	2.1597	1.0934	3.5183	2.4780	1.7760	3.7751	1.7707		3.9914	4.2958
H9	2.1663	2.9948	1.1023	2.8180	3.2883	1.7658	2.9787	3.9914		1.7707
H10	2.1597	3.5183	1.0934	2.4780	3.7751	1.7760	3.9914	4.2958	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.767	C1	C2	H7	111.579
C1	C2	H8	111.597	C1	C3	H6	110.767
C1	C3	H9	111.579	C1	C3	H10	111.597
C2	C1	C3	119.992	C2	C1	H4	118.972
C3	C1	H4	118.972	H5	C2	H7	106.831
H5	C2	H8	108.365	H6	C3	H9	106.831
H6	C3	H10	108.365	H7	C2	H8	107.499
H9	C3	H10	107.499

All results from a given calculation for CH₃CHCH₃ (Isopropyl radical)

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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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All results from a given calculation for CH3CHCH3 (Isopropyl radical)

using model chemistry: B2PLYP=FULLultrafine/3-21G*

States and conformations

All results from a given calculation for CH₃CHCH₃ (Isopropyl radical)