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	hartrees
Energy at 0K	-118.161075
Energy at 298.15K	-118.167362
HF Energy	-117.679820
Nuclear repulsion energy	75.799872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3045	24.99
2	A'	3196	2971	20.60
3	A'	3142	2921	46.41
4	A'	3070	2854	40.51
5	A'	1549	1441	4.51
6	A'	1542	1433	13.00
7	A'	1470	1367	3.49
8	A'	1227	1141	2.10
9	A'	1079	1003	0.15
10	A'	917	853	1.71
11	A'	427	397	17.65
12	A'	359	334	6.81
13	A'	152	142	0.17
14	A"	3196	2972	24.14
15	A"	3141	2920	5.54
16	A"	3067	2851	23.91
17	A"	1540	1432	0.47
18	A"	1530	1423	1.11
19	A"	1476	1372	7.58
20	A"	1419	1319	2.51
21	A"	1187	1104	0.00
22	A"	981	912	0.63
23	A"	970	902	0.17
24	A"	118	109	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.543	0.000
C2	-0.013	-0.200	1.290
C3	-0.013	-0.200	-1.290
H4	0.287	1.575	0.000
H5	-0.765	-0.984	1.290
H6	-0.765	-0.984	-1.290
H7	0.947	-0.688	1.472
H8	-0.207	0.455	2.132
H9	0.947	-0.688	-1.472
H10	-0.207	0.455	-2.132

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4883	1.4883	1.0756	2.1359	2.1359	2.1455	2.1422	2.1455	2.1422
C2	1.4883		2.5798	2.2149	1.0869	2.7997	1.0920	1.0837	2.9648	3.4889
C3	1.4883	2.5798		2.2149	2.7997	1.0869	2.9648	3.4889	1.0920	1.0837
H4	1.0756	2.2149	2.2149		3.0537	3.0537	2.7794	2.4584	2.7794	2.4584
H5	2.1359	1.0869	2.7997	3.0537		2.5805	1.7471	1.7579	3.2637	3.7538
H6	2.1359	2.7997	1.0869	3.0537	2.5805		3.2637	3.7538	1.7471	1.7579
H7	2.1455	1.0920	2.9648	2.7794	1.7471	3.2637		1.7523	2.9449	3.9529
H8	2.1422	1.0837	3.4889	2.4584	1.7579	3.7538	1.7523		3.9529	4.2631
H9	2.1455	2.9648	1.0920	2.7794	3.2637	1.7471	2.9449	3.9529		1.7523
H10	2.1422	3.4889	1.0837	2.4584	3.7538	1.7579	3.9529	4.2631	1.7523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.115	C1	C2	H7	111.578
C1	C2	H8	111.824	C1	C3	H6	111.115
C1	C3	H9	111.578	C1	C3	H10	111.824
C2	C1	C3	120.152	C2	C1	H4	118.620
C3	C1	H4	118.620	H5	C2	H7	106.614
H5	C2	H8	108.166	H6	C3	H9	106.614
H6	C3	H10	108.166	H7	C2	H8	107.300
H9	C3	H10	107.300

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

using model chemistry: CISD/cc-pVTZ

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: CISD/cc-pVTZ

States and conformations

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