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	hartrees
Energy at 0K	-27.436982
Energy at 298.15K	-27.445509
HF Energy	-27.094697
Nuclear repulsion energy	71.131147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3011	2939	100.39
2	A₁	2910	2840	61.83
3	A₁	1515	1479	20.54
4	A₁	1466	1431	1.47
5	A₁	1135	1107	0.64
6	A₁	742	724	1.04
7	A₁	272	265	4.18
8	A₂	3058	2985	0.00
9	A₂	1510	1474	0.00
10	A₂	983	959	0.00
11	A₂	132	129	0.00
12	E	3065	2991	67.05
12	E	3065	2991	67.05
13	E	3009	2936	14.32
13	E	3009	2936	14.32
14	E	2903	2833	50.54
14	E	2903	2833	50.54
15	E	1531	1494	3.97
15	E	1531	1494	3.97
16	E	1497	1461	3.27
16	E	1497	1461	3.27
17	E	1443	1409	8.08
17	E	1443	1409	8.08
18	E	1316	1284	7.91
18	E	1316	1284	7.91
19	E	1026	1002	1.23
19	E	1026	1002	1.23
20	E	962	939	0.10
20	E	962	939	0.10
21	E	370	361	0.12
21	E	370	361	0.12
22	E	148	144	0.01
22	E	148	144	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.182
C2	0.000	1.519	-0.021
C3	1.315	-0.759	-0.021
C4	-1.315	-0.759	-0.021
H5	0.000	1.792	-1.100
H6	1.552	-0.896	-1.100
H7	-1.552	-0.896	-1.100
H8	-0.896	1.978	0.432
H9	0.896	1.978	0.432
H10	2.161	-0.213	0.432
H11	1.265	-1.765	0.432
H12	-1.265	-1.765	0.432
H13	-2.161	-0.213	0.432

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5324	1.5324	1.5324	2.2034	2.2034	2.2034	2.1855	2.1855	2.1855	2.1855	2.1855	2.1855
C2	1.5324		2.6308	2.6308	1.1129	3.0667	3.0667	1.1041	1.1041	2.8059	3.5478	3.5478	2.8059
C3	1.5324	2.6308		2.6308	3.0667	1.1129	3.0667	3.5478	2.8059	1.1041	1.1041	2.8059	3.5478
C4	1.5324	2.6308	2.6308		3.0667	3.0667	1.1129	2.8059	3.5478	3.5478	2.8059	1.1041	1.1041
H5	2.2034	1.1129	3.0667	3.0667		3.1040	3.1040	1.7850	1.7850	3.3222	4.0742	4.0742	3.3222
H6	2.2034	3.0667	1.1129	3.0667	3.1040		3.1040	4.0742	3.3222	1.7850	1.7850	3.3222	4.0742
H7	2.2034	3.0667	3.0667	1.1129	3.1040	3.1040		3.3222	4.0742	4.0742	3.3222	1.7850	1.7850
H8	2.1855	1.1041	3.5478	2.8059	1.7850	4.0742	3.3222		1.7918	3.7603	4.3211	3.7603	2.5294
H9	2.1855	1.1041	2.8059	3.5478	1.7850	3.3222	4.0742	1.7918		2.5294	3.7603	4.3211	3.7603
H10	2.1855	2.8059	1.1041	3.5478	3.3222	1.7850	4.0742	3.7603	2.5294		1.7918	3.7603	4.3211
H11	2.1855	3.5478	1.1041	2.8059	4.0742	1.7850	3.3222	4.3211	3.7603	1.7918		2.5294	3.7603
H12	2.1855	3.5478	2.8059	1.1041	4.0742	3.3222	1.7850	3.7603	4.3211	3.7603	2.5294		1.7918
H13	2.1855	2.8059	3.5478	1.1041	3.3222	4.0742	1.7850	2.5294	3.7603	4.3211	3.7603	1.7918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.827	C1	C2	H8	110.936
C1	C2	H9	110.936	C1	C3	H6	111.827
C1	C3	H10	110.936	C1	C3	H11	110.936
C1	C4	H7	111.827	C1	C4	H12	110.936
C1	C4	H13	110.936	C2	C1	C3	118.272
C2	C1	C4	118.272	C3	C1	C4	118.272
H5	C2	H8	107.246	H5	C2	H9	107.246
H6	C3	H10	107.246	H6	C3	H11	107.246
H7	C4	H12	107.246	H7	C4	H13	107.246
H8	C2	H9	108.473	H10	C3	H11	108.473
H12	C4	H13	108.473

All results from a given calculation for C(CH₃)₃ (Tert-butyl radical)

using model chemistry: MP2/CEP-121G

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 C(CH3)3 (Tert-butyl radical)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C(CH₃)₃ (Tert-butyl radical)