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	hartrees
Energy at 0K	-193.436594
Energy at 298.15K	-193.445644
HF Energy	-193.034203
Nuclear repulsion energy	132.891401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3626	3470	4.86
2	A	3170	3033	26.52
3	A	3159	3023	49.68
4	A	3153	3017	3.08
5	A	3135	3000	32.32
6	A	3069	2936	12.92
7	A	3055	2923	19.65
8	A	3023	2893	54.82
9	A	1580	1511	9.41
10	A	1571	1503	4.76
11	A	1563	1495	0.14
12	A	1558	1490	1.60
13	A	1491	1427	7.56
14	A	1472	1408	11.13
15	A	1464	1401	14.05
16	A	1417	1356	10.28
17	A	1310	1254	30.18
18	A	1238	1185	29.72
19	A	1179	1128	14.17
20	A	1121	1073	32.66
21	A	1000	956	0.15
22	A	976	934	0.53
23	A	952	911	44.10
24	A	818	782	11.39
25	A	484	463	10.65
26	A	409	391	11.79
27	A	369	353	3.31
28	A	317	303	159.44
29	A	273	261	2.94
30	A	226	217	6.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.016	0.380
C2	-1.234	-0.760	-0.109
C3	1.323	-0.593	-0.093
O4	-0.005	1.395	-0.167
H5	-0.009	0.067	1.482
H6	-2.162	-0.278	0.234
H7	-1.239	-0.786	-1.207
H8	-1.225	-1.790	0.272
H9	2.163	0.021	0.253
H10	1.439	-1.613	0.298
H11	1.342	-0.625	-1.190
H12	-0.814	1.865	0.129

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5376	1.5300	1.4837	1.1041	2.1871	2.1669	2.1856	2.1660	2.1746	2.1613	2.0360
C2	1.5376		2.5621	2.4811	2.1719	1.1003	1.0981	1.0992	3.5043	2.8353	2.7963	2.6684
C3	1.5300	2.5621		2.3915	2.1658	3.5139	2.8001	2.8392	1.0965	1.0990	1.0980	3.2639
O4	1.4837	2.4811	2.3915		2.1174	2.7587	2.7125	3.4394	2.6008	3.3692	2.6338	0.9811
H5	1.1041	2.1719	2.1658	2.1174		2.5122	3.0777	2.5289	2.4964	2.5151	3.0733	2.3895
H6	2.1871	1.1003	3.5139	2.7587	2.5122		1.7848	1.7794	4.3351	3.8409	3.7974	2.5334
H7	2.1669	1.0981	2.8001	2.7125	3.0777	1.7848		1.7885	3.7888	3.1812	2.5854	2.9981
H8	2.1856	1.0992	2.8392	3.4394	2.5289	1.7794	1.7885		3.8424	2.6704	3.1761	3.6811
H9	2.1660	3.5043	1.0965	2.6008	2.4964	4.3351	3.7888	3.8424		1.7883	1.7816	3.5037
H10	2.1746	2.8353	1.0990	3.3692	2.5151	3.8409	3.1812	2.6704	1.7883		1.7893	4.1474
H11	2.1613	2.7963	1.0980	2.6338	3.0733	3.7974	2.5854	3.1761	1.7816	1.7893		3.5469
H12	2.0360	2.6684	3.2639	0.9811	2.3895	2.5334	2.9981	3.6811	3.5037	4.1474	3.5469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.928	C1	C2	H7	109.464
C1	C2	H8	110.874	C1	C3	H9	110.012
C1	C3	H10	110.547	C1	C3	H11	109.556
C1	O4	H12	109.700	C2	C1	C3	113.279
C2	C1	O4	110.398	C2	C1	H5	109.507
C3	C1	O4	105.025	C3	C1	H5	109.555
O4	C1	H5	108.931	H6	C2	H7	108.556
H6	C2	H8	107.995	H7	C2	H8	108.965
H9	C3	H10	109.077	H9	C3	H11	108.552
H10	C3	H11	109.061

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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