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	hartrees
Energy at 0K	-158.076725
Energy at 298.15K	-158.087427
HF Energy	-157.356067
Nuclear repulsion energy	135.206348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	2991	73.42
2	A₁	3069	2914	19.12
3	A₁	3061	2906	2.60
4	A₁	1529	1452	18.25
5	A₁	1427	1354	4.46
6	A₁	1217	1156	0.06
7	A₁	821	779	0.56
8	A₁	428	406	0.09
9	A₂	3153	2994	0.00
10	A₂	1495	1420	0.00
11	A₂	957	909	0.00
12	A₂	207	196	0.00
13	E	3156	2996	40.89
13	E	3156	2996	40.89
14	E	3143	2984	6.89
14	E	3143	2984	6.89
15	E	3059	2905	29.10
15	E	3059	2905	29.10
16	E	1521	1444	3.91
16	E	1521	1444	3.91
17	E	1502	1426	0.40
17	E	1502	1426	0.40
18	E	1401	1330	8.47
18	E	1401	1330	8.47
19	E	1363	1294	1.62
19	E	1363	1294	1.62
20	E	1207	1146	1.58
20	E	1207	1146	1.58
21	E	995	945	0.11
21	E	995	945	0.11
22	E	928	881	0.90
22	E	928	881	0.90
23	E	361	343	0.03
23	E	361	343	0.03
24	E	267	253	0.02
24	E	267	253	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.382
H2	0.000	0.000	1.476
C3	0.000	1.446	-0.097
C4	1.252	-0.723	-0.097
C5	-1.252	-0.723	-0.097
H6	0.000	1.482	-1.188
H7	1.284	-0.741	-1.188
H8	-1.284	-0.741	-1.188
H9	0.882	1.980	0.256
H10	-0.882	1.980	0.256
H11	1.273	-1.754	0.256
H12	2.156	-0.226	0.256
H13	-2.156	-0.226	0.256
H14	-1.273	-1.754	0.256

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0934	1.5231	1.5231	1.5231	2.1590	2.1590	2.1590	2.1710	2.1710	2.1710	2.1710	2.1710	2.1710
H2	1.0934		2.1360	2.1360	2.1360	3.0479	3.0479	3.0479	2.4871	2.4871	2.4871	2.4871	2.4871	2.4871
C3	1.5231	2.1360		2.5043	2.5043	1.0915	2.7606	2.7606	1.0897	1.0897	3.4617	2.7504	2.7504	3.4617
C4	1.5231	2.1360	2.5043		2.5043	2.7606	1.0915	2.7606	2.7504	3.4618	1.0897	1.0897	3.4618	2.7504
C5	1.5231	2.1360	2.5043	2.5043		2.7606	2.7606	1.0915	3.4618	2.7504	2.7504	3.4618	1.0897	1.0897
H6	2.1590	3.0479	1.0915	2.7606	2.7606		2.5674	2.5674	1.7631	1.7631	3.7652	3.1059	3.1059	3.7652
H7	2.1590	3.0479	2.7606	1.0915	2.7606	2.5674		2.5674	3.1059	3.7652	1.7631	1.7631	3.7652	3.1059
H8	2.1590	3.0479	2.7606	2.7606	1.0915	2.5674	2.5674		3.7652	3.1059	3.1059	3.7652	1.7631	1.7631
H9	2.1710	2.4871	1.0897	2.7504	3.4618	1.7631	3.1059	3.7652		1.7646	3.7539	2.5465	3.7539	4.3111
H10	2.1710	2.4871	1.0897	3.4618	2.7504	1.7631	3.7652	3.1059	1.7646		4.3111	3.7539	2.5465	3.7539
H11	2.1710	2.4871	3.4617	1.0897	2.7504	3.7652	1.7631	3.1059	3.7539	4.3111		1.7646	3.7539	2.5465
H12	2.1710	2.4871	2.7504	1.0897	3.4618	3.1059	1.7631	3.7652	2.5465	3.7539	1.7646		4.3111	3.7539
H13	2.1710	2.4871	2.7504	3.4618	1.0897	3.1059	3.7652	1.7631	3.7539	2.5465	3.7539	4.3111		1.7646
H14	2.1710	2.4871	3.4617	2.7504	1.0897	3.7652	3.1059	1.7631	4.3111	3.7539	2.5465	3.7539	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.239	C1	C3	H9	111.305
C1	C3	H10	111.305	C1	C4	H7	110.239
C1	C4	H11	111.305	C1	C4	H12	111.305
C1	C5	H8	110.239	C1	C5	H13	111.305
C1	C5	H14	111.305	H2	C1	C3	108.324
H2	C1	C4	108.324	H2	C1	C5	108.324
C3	C1	C4	110.593	C3	C1	C5	110.593
C4	C1	C5	110.593	H6	C3	H9	107.863
H6	C3	H10	107.863	H7	C4	H11	107.863
H7	C4	H12	107.863	H8	C5	H13	107.863
H8	C5	H14	107.863	H9	C3	H10	108.128
H11	C4	H12	108.128	H13	C5	H14	108.128

All results from a given calculation for CH₃CH(CH₃)CH₃ (Isobutane)

using model chemistry: MP2/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 CH3CH(CH3)CH3 (Isobutane)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH(CH₃)CH₃ (Isobutane)