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	hartrees
Energy at 0K	-118.099833
Energy at 298.15K	-118.106094
HF Energy	-117.645011
Nuclear repulsion energy	74.853758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3054	28.46
2	A'	3165	3000	18.42
3	A'	3112	2950	47.15
4	A'	3032	2874	34.40
5	A'	1493	1415	3.58
6	A'	1486	1408	12.01
7	A'	1420	1346	2.76
8	A'	1188	1126	2.03
9	A'	1046	992	0.10
10	A'	904	857	1.61
11	A'	434	411	17.29
12	A'	358	339	4.18
13	A'	155	147	0.06
14	A"	3166	3001	20.29
15	A"	3112	2950	4.98
16	A"	3029	2872	27.68
17	A"	1485	1408	0.05
18	A"	1475	1398	1.74
19	A"	1434	1360	6.51
20	A"	1371	1299	3.45
21	A"	1169	1108	0.00
22	A"	943	894	0.42
23	A"	938	889	0.56
24	A"	124	118	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	0.549	0.000
C2	-0.015	-0.201	1.302
C3	-0.015	-0.201	-1.302
H4	0.328	1.590	0.000
H5	-0.767	-1.012	1.295
H6	-0.767	-1.012	-1.295
H7	0.968	-0.681	1.498
H8	-0.232	0.461	2.157
H9	0.968	-0.681	-1.498
H10	-0.232	0.461	-2.157

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5028	1.5028	1.0963	2.1626	2.1626	2.1732	2.1691	2.1732	2.1691
C2	1.5028		2.6046	2.2410	1.1056	2.8224	1.1110	1.1027	3.0066	3.5284
C3	1.5028	2.6046		2.2410	2.8224	1.1056	3.0066	3.5284	1.1110	1.1027
H4	1.0963	2.2410	2.2410		3.1056	3.1056	2.7947	2.4975	2.7947	2.4975
H5	2.1626	1.1056	2.8224	3.1056		2.5892	1.7776	1.7889	3.3044	3.7905
H6	2.1626	2.8224	1.1056	3.1056	2.5892		3.3044	3.7905	1.7776	1.7889
H7	2.1732	1.1110	3.0066	2.7947	1.7776	3.3044		1.7823	2.9968	4.0127
H8	2.1691	1.1027	3.5284	2.4975	1.7889	3.7905	1.7823		4.0127	4.3130
H9	2.1732	3.0066	1.1110	2.7947	3.3044	1.7776	2.9968	4.0127		1.7823
H10	2.1691	3.5284	1.1027	2.4975	3.7905	1.7889	4.0127	4.3130	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.097	C1	C2	H7	111.610
C1	C2	H8	111.800	C1	C3	H6	111.097
C1	C3	H9	111.610	C1	C3	H10	111.800
C2	C1	C3	120.124	C2	C1	H4	118.295
C3	C1	H4	118.295	H5	C2	H7	106.636
H5	C2	H8	108.211	H6	C3	H9	106.636
H6	C3	H10	108.211	H7	C2	H8	107.244
H9	C3	H10	107.244

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

using model chemistry: MP3/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: MP3/cc-pVDZ

States and conformations

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