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	hartrees
Energy at 0K	-37.132683
Energy at 298.15K	-37.141576
HF Energy	-36.737018
Nuclear repulsion energy	77.542858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3529	8.29
2	A	3098	3024	40.01
3	A	3085	3011	70.05
4	A	3078	3004	6.50
5	A	3061	2987	44.03
6	A	2978	2907	25.47
7	A	2972	2901	46.53
8	A	2960	2889	31.09
9	A	1531	1495	11.40
10	A	1526	1489	3.96
11	A	1511	1475	0.16
12	A	1509	1472	2.34
13	A	1456	1421	10.59
14	A	1439	1405	19.36
15	A	1418	1384	11.07
16	A	1371	1338	15.23
17	A	1266	1235	22.73
18	A	1208	1179	30.46
19	A	1139	1111	16.19
20	A	1090	1063	30.82
21	A	967	944	0.06
22	A	943	920	0.44
23	A	934	911	51.12
24	A	795	776	12.89
25	A	462	451	11.37
26	A	396	387	15.24
27	A	352	344	2.33
28	A	285	278	150.52
29	A	260	253	3.58
30	A	196	191	12.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	0.011	0.388
C2	-1.245	-0.770	-0.111
C3	1.340	-0.593	-0.096
O4	-0.011	1.408	-0.167
H5	-0.009	0.074	1.494
H6	-2.177	-0.287	0.232
H7	-1.246	-0.794	-1.213
H8	-1.236	-1.806	0.273
H9	2.181	0.029	0.248
H10	1.464	-1.616	0.301
H11	1.353	-0.630	-1.198
H12	-0.830	1.876	0.114

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5541	1.5463	1.5029	1.1078	2.2050	2.1841	2.2017	2.1833	2.1892	2.1794	2.0604
C2	1.5541		2.5913	2.5043	2.1947	1.1047	1.1024	1.1042	3.5358	2.8674	2.8189	2.6885
C3	1.5463	2.5913		2.4153	2.1896	3.5459	2.8243	2.8712	1.1006	1.1038	1.1023	3.2943
O4	1.5029	2.5043	2.4153		2.1308	2.7796	2.7326	3.4673	2.6221	3.3963	2.6592	0.9849
H5	1.1078	2.1947	2.1896	2.1308		2.5345	3.1004	2.5552	2.5200	2.5395	3.0976	2.4141
H6	2.2050	1.1047	3.5459	2.7796	2.5345		1.7924	1.7871	4.3693	3.8766	3.8235	2.5513
H7	2.1841	1.1024	2.8243	2.7326	3.1004	1.7924		1.7980	3.8149	3.2111	2.6035	3.0107
H8	2.2017	1.1042	2.8712	3.4673	2.5552	1.7871	1.7980		3.8781	2.7069	3.2008	3.7077
H9	2.1833	3.5358	1.1006	2.6221	2.5200	4.3693	3.8149	3.8781		1.7947	1.7916	3.5348
H10	2.1892	2.8674	1.1038	3.3963	2.5395	3.8766	3.2111	2.7069	1.7947		1.7971	4.1823
H11	2.1794	2.8189	1.1023	2.6592	3.0976	3.8235	2.6035	3.2008	1.7916	1.7971		3.5727
H12	2.0604	2.6885	3.2943	0.9849	2.4141	2.5513	3.0107	3.7077	3.5348	4.1823	3.5727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.928	C1	C2	H7	109.425
C1	C2	H8	110.700	C1	C3	H9	110.003
C1	C3	H10	110.283	C1	C3	H11	109.603
C1	O4	H12	110.078	C2	C1	C3	113.400
C2	C1	O4	110.000	C2	C1	H5	109.939
C3	C1	O4	104.756	C3	C1	H5	110.080
O4	C1	H5	108.457	H6	C2	H7	108.598
H6	C2	H8	107.999	H7	C2	H8	109.140
H9	C3	H10	109.000	H9	C3	H11	108.832
H10	C3	H11	109.091

All results from a given calculation for CH₃CHOHCH₃ (Isopropyl alcohol)

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 CH3CHOHCH3 (Isopropyl alcohol)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for CH₃CHOHCH₃ (Isopropyl alcohol)