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	hartrees
Energy at 0K	-193.689639
Energy at 298.15K	-193.698762
HF Energy	-193.113824
Nuclear repulsion energy	134.848409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3547	15.98
2	A	3214	3031	18.25
3	A	3207	3024	38.95
4	A	3202	3019	2.21
5	A	3183	3002	26.81
6	A	3113	2935	9.43
7	A	3098	2921	15.77
8	A	3051	2877	57.15
9	A	1573	1483	7.10
10	A	1561	1472	4.20
11	A	1551	1462	0.56
12	A	1547	1459	1.08
13	A	1489	1404	22.49
14	A	1469	1385	20.03
15	A	1442	1360	0.95
16	A	1424	1343	14.79
17	A	1319	1243	53.65
18	A	1235	1165	30.52
19	A	1200	1131	20.82
20	A	1130	1066	27.50
21	A	1006	949	34.80
22	A	985	929	3.32
23	A	959	904	0.40
24	A	855	806	4.19
25	A	495	467	9.14
26	A	424	399	9.98
27	A	371	350	2.10
28	A	329	310	126.81
29	A	288	271	1.43
30	A	239	225	5.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.042	0.368
C2	-1.209	-0.756	-0.105
C3	1.306	-0.578	-0.088
O4	-0.013	1.364	-0.170
H5	-0.007	0.077	1.470
H6	-2.140	-0.279	0.221
H7	-1.210	-0.804	-1.197
H8	-1.194	-1.774	0.296
H9	2.149	0.029	0.253
H10	1.413	-1.591	0.311
H11	1.330	-0.622	-1.181
H12	-0.824	1.801	0.133

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5237	1.5160	1.4267	1.1024	2.1693	2.1526	2.1751	2.1514	2.1600	2.1469	1.9563
C2	1.5237		2.5210	2.4343	2.1487	1.0959	1.0938	1.0948	3.4661	2.7822	2.7606	2.5958
C3	1.5160	2.5210		2.3487	2.1404	3.4729	2.7594	2.7978	1.0928	1.0939	1.0938	3.2010
O4	1.4267	2.4343	2.3487		2.0842	2.7159	2.6816	3.3851	2.5754	3.3155	2.6018	0.9703
H5	1.1024	2.1487	2.1404	2.0842		2.4973	3.0562	2.4929	2.4758	2.4783	3.0502	2.3292
H6	2.1693	1.0959	3.4729	2.7159	2.4973		1.7755	1.7713	4.2997	3.7882	3.7583	2.4622
H7	2.1526	1.0938	2.7594	2.6816	3.0562	1.7755		1.7809	3.7524	3.1261	2.5471	2.9505
H8	2.1751	1.0948	2.7978	3.3851	2.4929	1.7713	1.7809		3.7978	2.6127	3.1430	3.5976
H9	2.1514	3.4661	1.0928	2.5754	2.4758	4.2997	3.7524	3.7978		1.7800	1.7747	3.4632
H10	2.1600	2.7822	1.0939	3.3155	2.4783	3.7882	3.1261	2.6127	1.7800		1.7805	4.0668
H11	2.1469	2.7606	1.0938	2.6018	3.0502	3.7583	2.5471	3.1430	1.7747	1.7805		3.4984
H12	1.9563	2.5958	3.2010	0.9703	2.3292	2.4622	2.9505	3.5976	3.4632	4.0668	3.4984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.749	C1	C2	H7	109.555
C1	C2	H8	111.277	C1	C3	H9	110.055
C1	C3	H10	110.674	C1	C3	H11	109.642
C1	O4	H12	107.874	C2	C1	C3	112.066
C2	C1	O4	111.144	C2	C1	H5	108.756
C3	C1	O4	105.866	C3	C1	H5	108.632
O4	C1	H5	110.333	H6	C2	H7	108.359
H6	C2	H8	107.908	H7	C2	H8	108.918
H9	C3	H10	108.976	H9	C3	H11	108.504
H10	C3	H11	108.947

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)