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	hartrees
Energy at 0K	-118.152503
Energy at 298.15K	-118.158793
HF Energy	-117.676934
Nuclear repulsion energy	75.772308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3012	23.76
2	A'	3194	2944	19.21
3	A'	3139	2893	42.54
4	A'	3068	2828	39.69
5	A'	1553	1431	5.41
6	A'	1545	1424	13.72
7	A'	1474	1359	3.35
8	A'	1226	1131	2.10
9	A'	1077	993	0.14
10	A'	917	845	1.67
11	A'	422	389	17.47
12	A'	357	329	9.10
13	A'	154	142	0.26
14	A"	3195	2945	24.02
15	A"	3138	2892	5.51
16	A"	3064	2825	23.49
17	A"	1542	1421	0.75
18	A"	1534	1414	0.94
19	A"	1477	1362	7.18
20	A"	1419	1308	2.85
21	A"	1185	1092	0.00
22	A"	980	903	0.62
23	A"	970	894	0.14
24	A"	125	115	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.544	0.000
C2	-0.013	-0.200	1.290
C3	-0.013	-0.200	-1.290
H4	0.288	1.578	0.000
H5	-0.775	-0.976	1.295
H6	-0.775	-0.976	-1.295
H7	0.943	-0.700	1.464
H8	-0.193	0.456	2.134
H9	0.943	-0.700	-1.464
H10	-0.193	0.456	-2.134

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4889	1.4889	1.0768	2.1370	2.1370	2.1455	2.1434	2.1455	2.1434
C2	1.4889		2.5796	2.2168	1.0875	2.8043	1.0926	1.0842	2.9573	3.4908
C3	1.4889	2.5796		2.2168	2.8043	1.0875	2.9573	3.4908	1.0926	1.0842
H4	1.0768	2.2168	2.2168		3.0541	3.0541	2.7854	2.4583	2.7854	2.4583
H5	2.1370	1.0875	2.8043	3.0541		2.5901	1.7481	1.7588	3.2617	3.7614
H6	2.1370	2.8043	1.0875	3.0541	2.5901		3.2617	3.7614	1.7481	1.7588
H7	2.1455	1.0926	2.9573	2.7854	1.7481	3.2617		1.7535	2.9277	3.9459
H8	2.1434	1.0842	3.4908	2.4583	1.7588	3.7614	1.7535		3.9459	4.2681
H9	2.1455	2.9573	1.0926	2.7854	3.2617	1.7481	2.9277	3.9459		1.7535
H10	2.1434	3.4908	1.0842	2.4583	3.7614	1.7588	3.9459	4.2681	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.130	C1	C2	H7	111.508
C1	C2	H8	111.854	C1	C3	H6	111.130
C1	C3	H9	111.508	C1	C3	H10	111.854
C2	C1	C3	120.058	C2	C1	H4	118.658
C3	C1	H4	118.658	H5	C2	H7	106.618
H5	C2	H8	108.166	H6	C3	H9	106.618
H6	C3	H10	108.166	H7	C2	H8	107.321
H9	C3	H10	107.321

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

using model chemistry: CISD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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