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	hartrees
Energy at 0K	-118.082376
Energy at 298.15K	-118.088702
HF Energy	-117.649163
Nuclear repulsion energy	75.661149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3080	27.32
2	A'	3213	3018	18.85
3	A'	3154	2962	41.46
4	A'	3067	2881	34.87
5	A'	1543	1449	5.58
6	A'	1529	1436	16.02
7	A'	1463	1374	4.17
8	A'	1219	1145	1.61
9	A'	1074	1009	0.28
10	A'	918	862	1.59
11	A'	441	414	25.89
12	A'	365	342	7.16
13	A'	168	158	0.22
14	A"	3214	3019	20.02
15	A"	3155	2963	5.46
16	A"	3066	2879	28.38
17	A"	1532	1439	1.08
18	A"	1519	1426	1.61
19	A"	1468	1379	9.76
20	A"	1413	1327	1.98
21	A"	1191	1118	0.09
22	A"	968	909	0.90
23	A"	963	905	0.26
24	A"	129	122	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.546	0.000
C2	-0.014	-0.200	1.289
C3	-0.014	-0.200	-1.289
H4	0.317	1.575	0.000
H5	-0.775	-0.983	1.287
H6	-0.775	-0.983	-1.287
H7	0.947	-0.697	1.468
H8	-0.203	0.456	2.137
H9	0.947	-0.697	-1.468
H10	-0.203	0.456	-2.137

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4899	1.4899	1.0809	2.1378	2.1378	2.1506	2.1469	2.1506	2.1469
C2	1.4899		2.5789	2.2190	1.0910	2.7975	1.0966	1.0881	2.9622	3.4935
C3	1.4899	2.5789		2.2190	2.7975	1.0910	2.9622	3.4935	1.0966	1.0881
H4	1.0809	2.2190	2.2190		3.0639	3.0639	2.7778	2.4675	2.7778	2.4675
H5	2.1378	1.0910	2.7975	3.0639		2.5731	1.7543	1.7657	3.2608	3.7568
H6	2.1378	2.7975	1.0910	3.0639	2.5731		3.2608	3.7568	1.7543	1.7657
H7	2.1506	1.0966	2.9622	2.7778	1.7543	3.2608		1.7606	2.9363	3.9557
H8	2.1469	1.0881	3.4935	2.4675	1.7657	3.7568	1.7606		3.9557	4.2733
H9	2.1506	2.9622	1.0966	2.7778	3.2608	1.7543	2.9363	3.9557		1.7606
H10	2.1469	3.4935	1.0881	2.4675	3.7568	1.7657	3.9557	4.2733	1.7606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.907	C1	C2	H7	111.600
C1	C2	H8	111.826	C1	C3	H6	110.907
C1	C3	H9	111.600	C1	C3	H10	111.826
C2	C1	C3	119.872	C2	C1	H4	118.483
C3	C1	H4	118.483	H5	C2	H7	106.634
H5	C2	H8	108.251	H6	C3	H9	106.634
H6	C3	H10	108.251	H7	C2	H8	107.391
H9	C3	H10	107.391

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

using model chemistry: MP2=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: MP2=FULL/6-31+G**

States and conformations

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