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	hartrees
Energy at 0K	-118.409162
Energy at 298.15K	-118.415332
HF Energy	-118.231123
Nuclear repulsion energy	75.731736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3064	24.53
2	A'	3118	2980	17.54
3	A'	3052	2917	45.84
4	A'	2978	2846	48.98
5	A'	1507	1441	4.30
6	A'	1497	1431	13.40
7	A'	1425	1362	4.15
8	A'	1193	1140	2.23
9	A'	1041	995	0.04
10	A'	896	857	1.83
11	A'	400	382	12.95
12	A'	354	338	11.78
13	A'	126	121	0.57
14	A"	3119	2981	26.66
15	A"	3051	2916	6.86
16	A"	2975	2843	22.49
17	A"	1495	1429	0.75
18	A"	1486	1420	0.83
19	A"	1424	1362	8.07
20	A"	1382	1321	2.41
21	A"	1160	1108	0.16
22	A"	954	911	1.01
23	A"	947	905	0.02
24	A"	115	110	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	0.538	0.000
C2	-0.011	-0.198	1.290
C3	-0.011	-0.198	-1.290
H4	0.225	1.591	0.000
H5	-0.762	-0.991	1.294
H6	-0.762	-0.991	-1.294
H7	0.952	-0.690	1.478
H8	-0.205	0.458	2.135
H9	0.952	-0.690	-1.478
H10	-0.205	0.458	-2.135

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4850	1.4850	1.0786	2.1390	2.1390	2.1496	2.1450	2.1496	2.1450
C2	1.4850		2.5793	2.2178	1.0918	2.8049	1.0977	1.0875	2.9718	3.4921
C3	1.4850	2.5793		2.2178	2.8049	1.0918	2.9718	3.4921	1.0977	1.0875
H4	1.0786	2.2178	2.2178		3.0515	3.0515	2.8133	2.4544	2.8133	2.4544
H5	2.1390	1.0918	2.8049	3.0515		2.5881	1.7500	1.7651	3.2734	3.7636
H6	2.1390	2.8049	1.0918	3.0515	2.5881		3.2734	3.7636	1.7500	1.7651
H7	2.1496	1.0977	2.9718	2.8133	1.7500	3.2734		1.7576	2.9568	3.9639
H8	2.1450	1.0875	3.4921	2.4544	1.7651	3.7636	1.7576		3.9639	4.2693
H9	2.1496	2.9718	1.0977	2.8133	3.2734	1.7500	2.9568	3.9639		1.7576
H10	2.1450	3.4921	1.0875	2.4544	3.7636	1.7651	3.9639	4.2693	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.304	C1	C2	H7	111.801
C1	C2	H8	112.057	C1	C3	H6	111.304
C1	C3	H9	111.801	C1	C3	H10	112.057
C2	C1	C3	120.561	C2	C1	H4	118.930
C3	C1	H4	118.930	H5	C2	H7	106.120
H5	C2	H8	108.175	H6	C3	H9	106.120
H6	C3	H10	108.175	H7	C2	H8	107.086
H9	C3	H10	107.086

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

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

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