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	hartrees
Energy at 0K	-118.355454
Energy at 298.15K	-118.361633
HF Energy	-118.209089
Nuclear repulsion energy	75.446097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3197	35.32
2	A'	3123	3123	23.27
3	A'	3060	3060	59.13
4	A'	2983	2983	57.52
5	A'	1529	1529	5.45
6	A'	1517	1517	18.05
7	A'	1447	1447	4.98
8	A'	1201	1201	2.64
9	A'	1053	1053	0.09
10	A'	898	898	1.94
11	A'	402	402	13.97
12	A'	351	351	15.36
13	A'	133	133	0.61
14	A"	3124	3124	31.53
15	A"	3059	3059	8.14
16	A"	2979	2979	26.48
17	A"	1516	1516	1.63
18	A"	1505	1505	1.37
19	A"	1444	1444	9.17
20	A"	1394	1394	2.14
21	A"	1165	1165	0.12
22	A"	963	963	1.16
23	A"	956	956	0.11
24	A"	116	116	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.539	0.000
C2	-0.012	-0.198	1.295
C3	-0.012	-0.198	-1.295
H4	0.246	1.592	0.000
H5	-0.768	-0.990	1.305
H6	-0.768	-0.990	-1.305
H7	0.953	-0.694	1.487
H8	-0.204	0.462	2.142
H9	0.953	-0.694	-1.487
H10	-0.204	0.462	-2.142

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4904	1.4904	1.0839	2.1484	2.1484	2.1591	2.1522	2.1591	2.1522
C2	1.4904		2.5902	2.2247	1.0952	2.8216	1.1011	1.0913	2.9857	3.5055
C3	1.4904	2.5902		2.2247	2.8216	1.0952	2.9857	3.5055	1.1011	1.0913
H4	1.0839	2.2247	2.2247		3.0662	3.0662	2.8171	2.4635	2.8171	2.4635
H5	2.1484	1.0952	2.8216	3.0662		2.6106	1.7555	1.7685	3.2931	3.7832
H6	2.1484	2.8216	1.0952	3.0662	2.6106		3.2931	3.7832	1.7555	1.7685
H7	2.1591	1.1011	2.9857	2.8171	1.7555	3.2931		1.7622	2.9736	3.9806
H8	2.1522	1.0913	3.5055	2.4635	1.7685	3.7832	1.7622		3.9806	4.2844
H9	2.1591	2.9857	1.1011	2.8171	3.2931	1.7555	2.9736	3.9806		1.7622
H10	2.1522	3.5055	1.0913	2.4635	3.7832	1.7685	3.9806	4.2844	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.468	C1	C2	H7	111.968
C1	C2	H8	112.024	C1	C3	H6	111.468
C1	C3	H9	111.968	C1	C3	H10	112.024
C2	C1	C3	120.674	C2	C1	H4	118.730
C3	C1	H4	118.730	H5	C2	H7	106.122
H5	C2	H8	107.961	H6	C3	H9	106.122
H6	C3	H10	107.961	H7	C2	H8	106.980
H9	C3	H10	106.980

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

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

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