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	hartrees
Energy at 0K	-118.126140
Energy at 298.15K	-118.132317
HF Energy	-117.648516
Nuclear repulsion energy	74.777595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3071	28.51
2	A'	3112	2998	20.93
3	A'	3051	2940	49.18
4	A'	2977	2868	45.60
5	A'	1481	1427	3.97
6	A'	1473	1419	10.95
7	A'	1405	1354	2.53
8	A'	1179	1136	1.42
9	A'	1027	989	0.34
10	A'	894	862	1.56
11	A'	400	385	13.27
12	A'	340	327	11.74
13	A'	147	142	0.43
14	A"	3113	2999	27.35
15	A"	3051	2940	5.41
16	A"	2973	2865	26.05
17	A"	1471	1417	0.07
18	A"	1461	1408	1.17
19	A"	1419	1367	7.18
20	A"	1361	1311	2.57
21	A"	1156	1114	0.00
22	A"	935	901	0.76
23	A"	931	897	0.01
24	A"	117	113	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.550	0.000
C2	-0.013	-0.202	1.304
C3	-0.013	-0.202	-1.304
H4	0.284	1.604	0.000
H5	-0.789	-0.991	1.308
H6	-0.789	-0.991	-1.308
H7	0.959	-0.712	1.481
H8	-0.195	0.466	2.162
H9	0.959	-0.712	-1.481
H10	-0.195	0.466	-2.162

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5049	1.5049	1.0958	2.1648	2.1648	2.1748	2.1708	2.1748	2.1708
C2	1.5049		2.6072	2.2476	1.1065	2.8363	1.1118	1.1029	2.9930	3.5338
C3	1.5049	2.6072		2.2476	2.8363	1.1065	2.9930	3.5338	1.1118	1.1029
H4	1.0958	2.2476	2.2476		3.0981	3.0981	2.8310	2.4894	2.8310	2.4894
H5	2.1648	1.1065	2.8363	3.0981		2.6158	1.7786	1.7903	3.3031	3.8097
H6	2.1648	2.8363	1.1065	3.0981	2.6158		3.3031	3.8097	1.7786	1.7903
H7	2.1748	1.1118	2.9930	2.8310	1.7786	3.3031		1.7845	2.9616	3.9985
H8	2.1708	1.1029	3.5338	2.4894	1.7903	3.8097	1.7845		3.9985	4.3231
H9	2.1748	2.9930	1.1118	2.8310	3.3031	1.7786	2.9616	3.9985		1.7845
H10	2.1708	3.5338	1.1029	2.4894	3.8097	1.7903	3.9985	4.3231	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.070	C1	C2	H7	111.541
C1	C2	H8	111.775	C1	C3	H6	111.070
C1	C3	H9	111.541	C1	C3	H10	111.775
C2	C1	C3	120.050	C2	C1	H4	118.745
C3	C1	H4	118.745	H5	C2	H7	106.601
H5	C2	H8	108.253	H6	C3	H9	106.601
H6	C3	H10	108.253	H7	C2	H8	107.364
H9	C3	H10	107.364

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

using model chemistry: CCSD/aug-cc-pVDZ

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: CCSD/aug-cc-pVDZ

States and conformations

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