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	hartrees
Energy at 0K	-117.850232
Energy at 298.15K	-117.856558
HF Energy	-117.590554
Nuclear repulsion energy	74.743888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3055	36.18
2	A'	3137	2980	25.72
3	A'	3083	2929	60.52
4	A'	3009	2859	36.03
5	A'	1574	1496	4.86
6	A'	1557	1479	13.23
7	A'	1496	1422	3.59
8	A'	1239	1177	3.40
9	A'	1104	1049	0.24
10	A'	898	853	1.23
11	A'	444	422	21.02
12	A'	373	355	5.86
13	A'	149	142	0.15
14	A"	3137	2980	26.22
15	A"	3083	2929	4.77
16	A"	3007	2857	26.47
17	A"	1565	1487	1.48
18	A"	1548	1471	0.69
19	A"	1482	1408	5.20
20	A"	1444	1372	7.37
21	A"	1188	1128	0.18
22	A"	1007	957	0.57
23	A"	987	938	0.78
24	A"	130	124	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.544	0.000
C2	-0.012	-0.202	1.312
C3	-0.012	-0.202	-1.312
H4	0.283	1.593	0.000
H5	-0.760	-1.010	1.302
H6	-0.760	-1.010	-1.302
H7	0.967	-0.673	1.522
H8	-0.242	0.466	2.153
H9	0.967	-0.673	-1.522
H10	-0.242	0.466	-2.153

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5090	1.5090	1.0896	2.1610	2.1610	2.1809	2.1667	2.1809	2.1667
C2	1.5090		2.6232	2.2428	1.1013	2.8357	1.1062	1.0983	3.0347	3.5357
C3	1.5090	2.6232		2.2428	2.8357	1.1013	3.0347	3.5357	1.1062	1.0983
H4	1.0896	2.2428	2.2428		3.0918	3.0918	2.8146	2.4865	2.8146	2.4865
H5	2.1610	1.1013	2.8357	3.0918		2.6031	1.7726	1.7806	3.3266	3.7920
H6	2.1610	2.8357	1.1013	3.0918	2.6031		3.3266	3.7920	1.7726	1.7806
H7	2.1809	1.1062	3.0347	2.8146	1.7726	3.3266		1.7765	3.0441	4.0328
H8	2.1667	1.0983	3.5357	2.4865	1.7806	3.7920	1.7765		4.0328	4.3058
H9	2.1809	3.0347	1.1062	2.8146	3.3266	1.7726	3.0441	4.0328		1.7765
H10	2.1667	3.5357	1.0983	2.4865	3.7920	1.7806	4.0328	4.3058	1.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.796	C1	C2	H7	112.091
C1	C2	H8	111.425	C1	C3	H6	110.796
C1	C3	H9	112.091	C1	C3	H10	111.425
C2	C1	C3	120.727	C2	C1	H4	118.431
C3	C1	H4	118.431	H5	C2	H7	106.829
H5	C2	H8	108.094	H6	C3	H9	106.829
H6	C3	H10	108.094	H7	C2	H8	107.385
H9	C3	H10	107.385

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

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

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/6-31G

States and conformations

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