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	hartrees
Energy at 0K	-118.140624
Energy at 298.15K	-118.146769
HF Energy	-117.648237
Nuclear repulsion energy	74.689592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3169	3050
2	A'	3094	2978
3	A'	3030	2916
4	A'	2953	2842
5	A'	1468	1413
6	A'	1460	1406
7	A'	1390	1338
8	A'	1167	1124
9	A'	1015	977
10	A'	887	853
11	A'	394	379
12	A'	336	323
13	A'	145	139
14	A"	3095	2979
15	A"	3031	2917
16	A"	2950	2839
17	A"	1458	1403
18	A"	1449	1394
19	A"	1404	1351
20	A"	1347	1297
21	A"	1146	1103
22	A"	925	890
23	A"	921	886
24	A"	115	111

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.551	0.000
C2	-0.013	-0.203	1.304
C3	-0.013	-0.203	-1.304
H4	0.280	1.609	0.000
H5	-0.789	-0.994	1.307
H6	-0.789	-0.994	-1.307
H7	0.961	-0.713	1.482
H8	-0.196	0.466	2.164
H9	0.961	-0.713	-1.482
H10	-0.196	0.466	-2.164

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5064	1.5064	1.0975	2.1672	2.1672	2.1777	2.1739	2.1777	2.1739
C2	1.5064		2.6087	2.2512	1.1084	2.8366	1.1139	1.1046	2.9952	3.5374
C3	1.5064	2.6087		2.2512	2.8366	1.1084	2.9952	3.5374	1.1139	1.1046
H4	1.0975	2.2512	2.2512		3.1021	3.1021	2.8375	2.4935	2.8375	2.4935
H5	2.1672	1.1084	2.8366	3.1021		2.6136	1.7812	1.7937	3.3042	3.8120
H6	2.1672	2.8366	1.1084	3.1021	2.6136		3.3042	3.8120	1.7812	1.7937
H7	2.1777	1.1139	2.9952	2.8375	1.7812	3.3042		1.7875	2.9634	4.0030
H8	2.1739	1.1046	3.5374	2.4935	1.7937	3.8120	1.7875		4.0030	4.3289
H9	2.1777	2.9952	1.1139	2.8375	3.3042	1.7812	2.9634	4.0030		1.7875
H10	2.1739	3.5374	1.1046	2.4935	3.8120	1.7937	4.0030	4.3289	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.036	C1	C2	H7	111.545
C1	C2	H8	111.811	C1	C3	H6	111.036
C1	C3	H9	111.545	C1	C3	H10	111.811
C2	C1	C3	119.965	C2	C1	H4	118.826
C3	C1	H4	118.826	H5	C2	H7	106.545
H5	C2	H8	108.301	H6	C3	H9	106.545
H6	C3	H10	108.301	H7	C2	H8	107.365
H9	C3	H10	107.365

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

using model chemistry: CCSD(T)/aug-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: CCSD(T)/aug-cc-pVDZ

States and conformations

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