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	hartrees
Energy at 0K	-117.254790
Energy at 298.15K	-117.261068
HF Energy	-116.985510
Nuclear repulsion energy	74.836350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3010	26.18
2	A'	3145	2939	17.97
3	A'	3100	2896	44.12
4	A'	3037	2838	33.89
5	A'	1604	1498	5.26
6	A'	1594	1489	13.48
7	A'	1511	1412	4.95
8	A'	1245	1163	5.07
9	A'	1112	1039	0.87
10	A'	865	808	1.25
11	A'	421	393	15.85
12	A'	358	335	11.82
13	A'	144	135	0.20
14	A"	3145	2939	23.61
15	A"	3097	2893	4.87
16	A"	3032	2833	15.88
17	A"	1593	1489	1.76
18	A"	1582	1479	0.55
19	A"	1495	1397	4.73
20	A"	1435	1340	7.89
21	A"	1135	1060	0.25
22	A"	1020	953	0.55
23	A"	1001	935	1.02
24	A"	132	123	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.554	0.000
C2	-0.012	-0.205	1.309
C3	-0.012	-0.205	-1.309
H4	0.294	1.595	0.000
H5	-0.776	-0.992	1.296
H6	-0.776	-0.992	-1.296
H7	0.958	-0.694	1.490
H8	-0.216	0.459	2.154
H9	0.958	-0.694	-1.490
H10	-0.216	0.459	-2.154

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5130	1.5130	1.0850	2.1574	2.1574	2.1725	2.1657	2.1725	2.1657
C2	1.5130		2.6173	2.2466	1.0968	2.8262	1.1013	1.0942	3.0024	3.5317
C3	1.5130	2.6173		2.2466	2.8262	1.0968	3.0024	3.5317	1.1013	1.0942
H4	1.0850	2.2466	2.2466		3.0852	3.0852	2.8110	2.4879	2.8110	2.4879
H5	2.1574	1.0968	2.8262	3.0852		2.5922	1.7702	1.7767	3.2955	3.7847
H6	2.1574	2.8262	1.0968	3.0852	2.5922		3.2955	3.7847	1.7702	1.7767
H7	2.1725	1.1013	3.0024	2.8110	1.7702	3.2955		1.7738	2.9808	3.9985
H8	2.1657	1.0942	3.5317	2.4879	1.7767	3.7847	1.7738		3.9985	4.3081
H9	2.1725	3.0024	1.1013	2.8110	3.2955	1.7702	2.9808	3.9985		1.7738
H10	2.1657	3.5317	1.0942	2.4879	3.7847	1.7767	3.9985	4.3081	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.497	C1	C2	H7	111.436
C1	C2	H8	111.319	C1	C3	H6	110.497
C1	C3	H9	111.436	C1	C3	H10	111.319
C2	C1	C3	119.751	C2	C1	H4	118.784
C3	C1	H4	118.784	H5	C2	H7	107.281
H5	C2	H8	108.363	H6	C3	H9	107.281
H6	C3	H10	108.363	H7	C2	H8	107.787
H9	C3	H10	107.787

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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