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	hartrees
Energy at 0K	-118.107219
Energy at 298.15K	-118.113450
HF Energy	-117.644760
Nuclear repulsion energy	74.775413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3059	30.53
2	A'	3135	3008	19.31
3	A'	3079	2954	50.11
4	A'	2998	2876	40.46
5	A'	1488	1427	3.17
6	A'	1481	1420	11.03
7	A'	1416	1359	2.46
8	A'	1184	1136	1.78
9	A'	1042	999	0.14
10	A'	900	863	1.57
11	A'	424	407	16.02
12	A'	355	340	4.85
13	A'	151	145	0.08
14	A"	3136	3009	23.00
15	A"	3079	2954	6.40
16	A"	2994	2873	28.13
17	A"	1480	1419	0.08
18	A"	1471	1411	1.43
19	A"	1428	1370	5.46
20	A"	1366	1311	3.91
21	A"	1162	1115	0.00
22	A"	941	903	0.51
23	A"	936	898	0.39
24	A"	121	116	0.01

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	0.315	1.596	0.000
H5	-0.771	-1.011	1.299
H6	-0.771	-1.011	-1.299
H7	0.968	-0.687	1.498
H8	-0.226	0.464	2.159
H9	0.968	-0.687	-1.498
H10	-0.226	0.464	-2.159

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5033	1.5033	1.0984	2.1652	2.1652	2.1760	2.1711	2.1760	2.1711
C2	1.5033		2.6063	2.2443	1.1076	2.8278	1.1133	1.1045	3.0082	3.5320
C3	1.5033	2.6063		2.2443	2.8278	1.1076	3.0082	3.5320	1.1133	1.1045
H4	1.0984	2.2443	2.2443		3.1079	3.1079	2.8074	2.4972	2.8074	2.4972
H5	2.1652	1.1076	2.8278	3.1079		2.5975	1.7801	1.7920	3.3094	3.7984
H6	2.1652	2.8278	1.1076	3.1079	2.5975		3.3094	3.7984	1.7801	1.7920
H7	2.1760	1.1133	3.0082	2.8074	1.7801	3.3094		1.7852	2.9966	4.0158
H8	2.1711	1.1045	3.5320	2.4972	1.7920	3.7984	1.7852		4.0158	4.3182
H9	2.1760	3.0082	1.1133	2.8074	3.3094	1.7801	2.9966	4.0158		1.7852
H10	2.1711	3.5320	1.1045	2.4972	3.7984	1.7920	4.0158	4.3182	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.149	C1	C2	H7	111.668
C1	C2	H8	111.810	C1	C3	H6	111.149
C1	C3	H9	111.668	C1	C3	H10	111.810
C2	C1	C3	120.197	C2	C1	H4	118.395
C3	C1	H4	118.395	H5	C2	H7	106.550
H5	C2	H8	108.208	H6	C3	H9	106.550
H6	C3	H10	108.208	H7	C2	H8	107.205
H9	C3	H10	107.205

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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