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	hartrees
Energy at 0K	-118.341854
Energy at 298.15K
HF Energy	-118.200376
Nuclear repulsion energy	75.432806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3223	29.05
2	A'	3146	3146	20.20
3	A'	3080	3080	49.01
4	A'	3002	3002	49.73
5	A'	1519	1519	5.53
6	A'	1506	1506	16.28
7	A'	1440	1440	3.88
8	A'	1199	1199	2.02
9	A'	1049	1049	0.06
10	A'	900	900	1.82
11	A'	404	404	18.78
12	A'	353	353	15.59
13	A'	137	137	0.75
14	A"	3147	3147	27.46
15	A"	3080	3080	7.88
16	A"	2999	2999	28.10
17	A"	1506	1506	1.40
18	A"	1496	1496	1.20
19	A"	1441	1441	8.38
20	A"	1391	1391	2.85
21	A"	1166	1166	0.19
22	A"	957	957	1.15
23	A"	952	952	0.01
24	A"	116	116	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	0.540	0.000
C2	-0.011	-0.199	1.295
C3	-0.011	-0.199	-1.295
H4	0.245	1.593	0.000
H5	-0.771	-0.988	1.302
H6	-0.771	-0.988	-1.302
H7	0.952	-0.698	1.482
H8	-0.201	0.463	2.142
H9	0.952	-0.698	-1.482
H10	-0.201	0.463	-2.142

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4915	1.4915	1.0839	2.1467	2.1467	2.1583	2.1520	2.1583	2.1520
C2	1.4915		2.5906	2.2264	1.0952	2.8187	1.1010	1.0914	2.9819	3.5057
C3	1.4915	2.5906		2.2264	2.8187	1.0952	2.9819	3.5057	1.1010	1.0914
H4	1.0839	2.2264	2.2264		3.0646	3.0646	2.8188	2.4631	2.8188	2.4631
H5	2.1467	1.0952	2.8187	3.0646		2.6038	1.7570	1.7706	3.2872	3.7803
H6	2.1467	2.8187	1.0952	3.0646	2.6038		3.2872	3.7803	1.7570	1.7706
H7	2.1583	1.1010	2.9819	2.8188	1.7570	3.2872		1.7642	2.9644	3.9765
H8	2.1520	1.0914	3.5057	2.4631	1.7706	3.7803	1.7642		3.9765	4.2843
H9	2.1583	2.9819	1.1010	2.8188	3.2872	1.7570	2.9644	3.9765		1.7642
H10	2.1520	3.5057	1.0914	2.4631	3.7803	1.7706	3.9765	4.2843	1.7642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.245	C1	C2	H7	111.834
C1	C2	H8	111.918	C1	C3	H6	111.245
C1	C3	H9	111.834	C1	C3	H10	111.918
C2	C1	C3	120.553	C2	C1	H4	118.797
C3	C1	H4	118.797	H5	C2	H7	106.263
H5	C2	H8	108.140	H6	C3	H9	106.263
H6	C3	H10	108.140	H7	C2	H8	107.159
H9	C3	H10	107.159

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH3CHCH3 (Isopropyl radical)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

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