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	hartrees
Energy at 0K	-117.285106
Energy at 298.15K	-117.291363
HF Energy	-116.984782
Nuclear repulsion energy	74.564223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3167	3071
2	A'	3087	2994
3	A'	3039	2948
4	A'	2973	2883
5	A'	1577	1529
6	A'	1566	1519
7	A'	1481	1436
8	A'	1220	1183
9	A'	1093	1060
10	A'	848	822
11	A'	425	412
12	A'	357	346
13	A'	144	140
14	A"	3087	2994
15	A"	3038	2946
16	A"	2970	2880
17	A"	1567	1520
18	A"	1555	1508
19	A"	1465	1421
20	A"	1412	1369
21	A"	1115	1081
22	A"	999	969
23	A"	980	951
24	A"	128	124

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.556	0.000
C2	-0.013	-0.206	1.313
C3	-0.013	-0.206	-1.313
H4	0.310	1.597	0.000
H5	-0.773	-1.004	1.293
H6	-0.773	-1.004	-1.293
H7	0.965	-0.688	1.502
H8	-0.230	0.460	2.160
H9	0.965	-0.688	-1.502
H10	-0.230	0.460	-2.160

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5177	1.5177	1.0898	2.1643	2.1643	2.1819	2.1734	2.1819	2.1734
C2	1.5177		2.6251	2.2532	1.1020	2.8294	1.1067	1.0994	3.0187	3.5428
C3	1.5177	2.6251		2.2532	2.8294	1.1020	3.0187	3.5428	1.1067	1.0994
H4	1.0898	2.2532	2.2532		3.1000	3.1000	2.8116	2.5004	2.8116	2.5004
H5	2.1643	1.1020	2.8294	3.1000		2.5869	1.7785	1.7856	3.3069	3.7903
H6	2.1643	2.8294	1.1020	3.1000	2.5869		3.3069	3.7903	1.7785	1.7856
H7	2.1819	1.1067	3.0187	2.8116	1.7785	3.3069		1.7824	3.0047	4.0199
H8	2.1734	1.0994	3.5428	2.5004	1.7856	3.7903	1.7824		4.0199	4.3208
H9	2.1819	3.0187	1.1067	2.8116	3.3069	1.7785	3.0047	4.0199		1.7824
H10	2.1734	3.5428	1.0994	2.5004	3.7903	1.7856	4.0199	4.3208	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.404	C1	C2	H7	111.525
C1	C2	H8	111.289	C1	C3	H6	110.404
C1	C3	H9	111.525	C1	C3	H10	111.289
C2	C1	C3	119.731	C2	C1	H4	118.648
C3	C1	H4	118.648	H5	C2	H7	107.257
H5	C2	H8	108.417	H6	C3	H9	107.257
H6	C3	H10	108.417	H7	C2	H8	107.794
H9	C3	H10	107.794

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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