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	hartrees
Energy at 0K	-118.341854
Energy at 298.15K	-118.348049
HF Energy	-118.200376
Nuclear repulsion energy	75.432685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3065	29.20
2	A'	3147	2993	20.16
3	A'	3080	2929	48.91
4	A'	3002	2855	49.82
5	A'	1519	1445	5.54
6	A'	1506	1433	16.29
7	A'	1440	1370	3.88
8	A'	1199	1140	2.01
9	A'	1049	998	0.06
10	A'	900	856	1.82
11	A'	405	385	18.75
12	A'	354	336	15.62
13	A'	138	132	0.73
14	A"	3148	2994	27.42
15	A"	3080	2929	7.94
16	A"	2999	2852	28.08
17	A"	1506	1432	1.41
18	A"	1496	1423	1.20
19	A"	1441	1370	8.40
20	A"	1391	1323	2.84
21	A"	1166	1109	0.19
22	A"	957	910	1.16
23	A"	952	905	0.01
24	A"	120	114	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	0.540	0.000
C2	-0.011	-0.199	1.295
C3	-0.011	-0.199	-1.295
H4	0.247	1.593	0.000
H5	-0.770	-0.989	1.301
H6	-0.770	-0.989	-1.301
H7	0.953	-0.696	1.483
H8	-0.203	0.462	2.142
H9	0.953	-0.696	-1.483
H10	-0.203	0.462	-2.142

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4915	1.4915	1.0839	2.1466	2.1466	2.1584	2.1520	2.1584	2.1520
C2	1.4915		2.5907	2.2262	1.0952	2.8183	1.1010	1.0914	2.9826	3.5057
C3	1.4915	2.5907		2.2262	2.8183	1.0952	2.9826	3.5057	1.1010	1.0914
H4	1.0839	2.2262	2.2262		3.0651	3.0651	2.8175	2.4634	2.8175	2.4634
H5	2.1466	1.0952	2.8183	3.0651		2.6029	1.7570	1.7707	3.2874	3.7797
H6	2.1466	2.8183	1.0952	3.0651	2.6029		3.2874	3.7797	1.7570	1.7707
H7	2.1584	1.1010	2.9826	2.8175	1.7570	3.2874		1.7641	2.9660	3.9773
H8	2.1520	1.0914	3.5057	2.4634	1.7707	3.7797	1.7641		3.9773	4.2841
H9	2.1584	2.9826	1.1010	2.8175	3.2874	1.7570	2.9660	3.9773		1.7641
H10	2.1520	3.5057	1.0914	2.4634	3.7797	1.7707	3.9773	4.2841	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.245	C1	C2	H7	111.836
C1	C2	H8	111.919	C1	C3	H6	111.245
C1	C3	H9	111.836	C1	C3	H10	111.919
C2	C1	C3	120.563	C2	C1	H4	118.779
C3	C1	H4	118.779	H5	C2	H7	106.257
H5	C2	H8	108.148	H6	C3	H9	106.257
H6	C3	H10	108.148	H7	C2	H8	107.155
H9	C3	H10	107.155

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

using model chemistry: B2PLYP=FULL/6-31+G**

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/6-31+G**

States and conformations

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