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	hartrees
Energy at 0K	-118.050922
Energy at 298.15K	-118.057231
HF Energy	-117.645426
Nuclear repulsion energy	75.082473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3015	30.18
2	A'	3208	2964	19.66
3	A'	3157	2917	49.70
4	A'	3078	2844	36.75
5	A'	1523	1407	3.70
6	A'	1517	1401	12.13
7	A'	1453	1342	2.77
8	A'	1213	1121	2.10
9	A'	1069	988	0.11
10	A'	917	848	1.67
11	A'	443	410	17.04
12	A'	364	336	4.11
13	A'	158	146	0.07
14	A"	3209	2965	21.57
15	A"	3156	2916	5.65
16	A"	3074	2840	29.23
17	A"	1515	1400	0.07
18	A"	1506	1391	1.71
19	A"	1466	1354	5.93
20	A"	1399	1293	3.61
21	A"	1186	1096	0.01
22	A"	965	891	0.28
23	A"	958	885	0.61
24	A"	125	116	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	0.546	0.000
C2	-0.015	-0.201	1.300
C3	-0.015	-0.201	-1.300
H4	0.331	1.582	0.000
H5	-0.765	-1.007	1.295
H6	-0.765	-1.007	-1.295
H7	0.964	-0.678	1.495
H8	-0.230	0.461	2.149
H9	0.964	-0.678	-1.495
H10	-0.230	0.461	-2.149

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4991	1.4991	1.0919	2.1565	2.1565	2.1660	2.1618	2.1660	2.1618
C2	1.4991		2.5993	2.2332	1.1008	2.8183	1.1062	1.0982	2.9991	3.5186
C3	1.4991	2.5993		2.2332	2.8183	1.1008	2.9991	3.5186	1.1062	1.0982
H4	1.0919	2.2332	2.2332		3.0949	3.0949	2.7827	2.4882	2.7827	2.4882
H5	2.1565	1.1008	2.8183	3.0949		2.5895	1.7707	1.7807	3.2981	3.7819
H6	2.1565	2.8183	1.1008	3.0949	2.5895		3.2981	3.7819	1.7707	1.7807
H7	2.1660	1.1062	2.9991	2.7827	1.7707	3.2981		1.7747	2.9898	4.0003
H8	2.1618	1.0982	3.5186	2.4882	1.7807	3.7819	1.7747		4.0003	4.2989
H9	2.1660	2.9991	1.1062	2.7827	3.2981	1.7707	2.9898	4.0003		1.7747
H10	2.1618	3.5186	1.0982	2.4882	3.7819	1.7807	4.0003	4.2989	1.7747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.161	C1	C2	H7	111.602
C1	C2	H8	111.752	C1	C3	H6	111.161
C1	C3	H9	111.602	C1	C3	H10	111.752
C2	C1	C3	120.214	C2	C1	H4	118.210
C3	C1	H4	118.210	H5	C2	H7	106.704
H5	C2	H8	108.144	H6	C3	H9	106.704
H6	C3	H10	108.144	H7	C2	H8	107.236
H9	C3	H10	107.236

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

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

States and conformations

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