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	hartrees
Energy at 0K	-118.126381
Energy at 298.15K	-118.132583
HF Energy	-117.644708
Nuclear repulsion energy	74.775509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3179	3062
2	A'	3128	3013
3	A'	3070	2957
4	A'	2986	2876
5	A'	1480	1425
6	A'	1473	1419
7	A'	1406	1354
8	A'	1176	1133
9	A'	1034	996
10	A'	895	862
11	A'	421	405
12	A'	352	339
13	A'	148	143
14	A"	3129	3014
15	A"	3070	2957
16	A"	2983	2873
17	A"	1471	1417
18	A"	1463	1409
19	A"	1418	1366
20	A"	1357	1307
21	A"	1157	1114
22	A"	934	899
23	A"	929	895
24	A"	115	111

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.548	0.000
C2	-0.014	-0.201	1.303
C3	-0.014	-0.201	-1.303
H4	0.313	1.597	0.000
H5	-0.769	-1.013	1.296
H6	-0.769	-1.013	-1.296
H7	0.969	-0.686	1.498
H8	-0.228	0.463	2.159
H9	0.969	-0.686	-1.498
H10	-0.228	0.463	-2.159

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5031	1.5031	1.0989	2.1650	2.1650	2.1764	2.1715	2.1764	2.1715
C2	1.5031		2.6053	2.2450	1.1079	2.8254	1.1138	1.1048	3.0080	3.5315
C3	1.5031	2.6053		2.2450	2.8254	1.1079	3.0080	3.5315	1.1138	1.1048
H4	1.0989	2.2450	2.2450		3.1087	3.1087	2.8087	2.4985	2.8087	2.4985
H5	2.1650	1.1079	2.8254	3.1087		2.5930	1.7802	1.7927	3.3076	3.7963
H6	2.1650	2.8254	1.1079	3.1087	2.5930		3.3076	3.7963	1.7802	1.7927
H7	2.1764	1.1138	3.0080	2.8087	1.7802	3.3076		1.7857	2.9969	4.0164
H8	2.1715	1.1048	3.5315	2.4985	1.7927	3.7963	1.7857		4.0164	4.3185
H9	2.1764	3.0080	1.1138	2.8087	3.3076	1.7802	2.9969	4.0164		1.7857
H10	2.1715	3.5315	1.1048	2.4985	3.7963	1.7927	4.0164	4.3185	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.129	C1	C2	H7	111.677
C1	C2	H8	111.842	C1	C3	H6	111.129
C1	C3	H9	111.677	C1	C3	H10	111.842
C2	C1	C3	120.142	C2	C1	H4	118.440
C3	C1	H4	118.440	H5	C2	H7	106.505
H5	C2	H8	108.233	H6	C3	H9	106.505
H6	C3	H10	108.233	H7	C2	H8	107.201
H9	C3	H10	107.201

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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: CCSD(T)=FULL/cc-pVDZ

States and conformations

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