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	hartrees
Energy at 0K	-118.108421
Energy at 298.15K	-118.114720
HF Energy	-117.647294
Nuclear repulsion energy	75.383441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3053	33.17
2	A'	3180	2993	24.94
3	A'	3126	2943	56.32
4	A'	3048	2869	39.80
5	A'	1552	1461	2.75
6	A'	1541	1451	8.83
7	A'	1473	1386	1.91
8	A'	1219	1147	1.78
9	A'	1080	1017	0.16
10	A'	910	856	1.30
11	A'	438	413	16.79
12	A'	364	342	4.45
13	A'	155	146	0.13
14	A"	3180	2993	25.61
15	A"	3125	2942	6.00
16	A"	3044	2865	25.88
17	A"	1543	1453	0.36
18	A"	1531	1441	0.82
19	A"	1474	1388	4.68
20	A"	1418	1335	4.95
21	A"	1182	1113	0.02
22	A"	977	920	0.72
23	A"	965	908	0.19
24	A"	129	121	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.544	0.000
C2	-0.014	-0.200	1.297
C3	-0.014	-0.200	-1.297
H4	0.306	1.579	0.000
H5	-0.759	-1.000	1.290
H6	-0.759	-1.000	-1.290
H7	0.957	-0.676	1.495
H8	-0.229	0.458	2.139
H9	0.957	-0.676	-1.495
H10	-0.229	0.458	-2.139

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4956	1.4956	1.0834	2.1457	2.1457	2.1598	2.1518	2.1598	2.1518
C2	1.4956		2.5947	2.2252	1.0933	2.8093	1.0986	1.0905	2.9940	3.5058
C3	1.4956	2.5947		2.2252	2.8093	1.0933	2.9940	3.5058	1.0986	1.0905
H4	1.0834	2.2252	2.2252		3.0742	3.0742	2.7828	2.4737	2.7828	2.4737
H5	2.1457	1.0933	2.8093	3.0742		2.5809	1.7582	1.7685	3.2875	3.7644
H6	2.1457	2.8093	1.0933	3.0742	2.5809		3.2875	3.7644	1.7582	1.7685
H7	2.1598	1.0986	2.9940	2.7828	1.7582	3.2875		1.7631	2.9897	3.9875
H8	2.1518	1.0905	3.5058	2.4737	1.7685	3.7644	1.7631		3.9875	4.2786
H9	2.1598	2.9940	1.0986	2.7828	3.2875	1.7582	2.9897	3.9875		1.7631
H10	2.1518	3.5058	1.0905	2.4737	3.7644	1.7685	3.9875	4.2786	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.997	C1	C2	H7	111.812
C1	C2	H8	111.665	C1	C3	H6	110.997
C1	C3	H9	111.812	C1	C3	H10	111.665
C2	C1	C3	120.319	C2	C1	H4	118.386
C3	C1	H4	118.386	H5	C2	H7	106.674
H5	C2	H8	108.158	H6	C3	H9	106.674
H6	C3	H10	108.158	H7	C2	H8	107.298
H9	C3	H10	107.298

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

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

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