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	hartrees
Energy at 0K	-193.740407
Energy at 298.15K	-193.749531
HF Energy	-193.114200
Nuclear repulsion energy	134.903189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3810	3575	13.43
2	A	3200	3003	21.04
3	A	3193	2996	46.60
4	A	3187	2990	1.24
5	A	3170	2975	29.58
6	A	3109	2917	9.75
7	A	3095	2904	17.48
8	A	3047	2859	56.04
9	A	1570	1473	6.77
10	A	1559	1463	3.96
11	A	1549	1453	1.16
12	A	1544	1449	1.02
13	A	1499	1407	24.70
14	A	1475	1384	20.98
15	A	1450	1360	1.28
16	A	1433	1345	16.02
17	A	1331	1249	64.82
18	A	1242	1166	34.89
19	A	1211	1137	14.75
20	A	1135	1065	26.44
21	A	1018	955	31.77
22	A	988	927	1.32
23	A	960	901	0.37
24	A	859	806	3.08
25	A	498	467	9.40
26	A	427	401	10.19
27	A	373	350	1.62
28	A	324	304	129.06
29	A	283	265	0.99
30	A	236	222	4.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.044	0.367
C2	-1.200	-0.769	-0.104
C3	1.315	-0.563	-0.088
O4	-0.032	1.362	-0.170
H5	-0.007	0.083	1.468
H6	-2.137	-0.303	0.222
H7	-1.204	-0.822	-1.197
H8	-1.172	-1.787	0.300
H9	2.151	0.054	0.252
H10	1.434	-1.574	0.313
H11	1.342	-0.610	-1.181
H12	-0.846	1.790	0.131

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5245	1.5176	1.4235	1.1020	2.1707	2.1551	2.1750	2.1533	2.1625	2.1496	1.9548
C2	1.5245		2.5239	2.4310	2.1495	1.0963	1.0944	1.0950	3.4690	2.7861	2.7653	2.5943
C3	1.5176	2.5239		2.3512	2.1414	3.4763	2.7646	2.7990	1.0931	1.0943	1.0943	3.2024
O4	1.4235	2.4310	2.3512		2.0781	2.7123	2.6825	3.3814	2.5795	3.3174	2.6074	0.9673
H5	1.1020	2.1495	2.1414	2.0781		2.4981	3.0582	2.4938	2.4766	2.4812	3.0520	2.3250
H6	2.1707	1.0963	3.4763	2.7123	2.4981		1.7759	1.7719	4.3031	3.7923	3.7638	2.4611
H7	2.1551	1.0944	2.7646	2.6825	3.0582	1.7759		1.7809	3.7579	3.1315	2.5545	2.9519
H8	2.1750	1.0950	2.7990	3.3814	2.4938	1.7719	1.7809		3.7991	2.6150	3.1458	3.5957
H9	2.1533	3.4690	1.0931	2.5795	2.4766	4.3031	3.7579	3.7991		1.7803	1.7748	3.4651
H10	2.1625	2.7861	1.0943	3.3174	2.4812	3.7923	3.1315	2.6150	1.7803		1.7806	4.0683
H11	2.1496	2.7653	1.0943	2.6074	3.0520	3.7638	2.5545	3.1458	1.7748	1.7806		3.5024
H12	1.9548	2.5943	3.2024	0.9673	2.3250	2.4611	2.9519	3.5957	3.4651	4.0683	3.5024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.784	C1	C2	H7	109.668
C1	C2	H8	111.203	C1	C3	H9	110.066
C1	C3	H10	110.731	C1	C3	H11	109.706
C1	O4	H12	108.186	C2	C1	C3	112.130
C2	C1	O4	111.056	C2	C1	H5	108.788
C3	C1	O4	106.107	C3	C1	H5	108.618
O4	C1	H5	110.094	H6	C2	H7	108.326
H6	C2	H8	107.920	H7	C2	H8	108.862
H9	C3	H10	108.953	H9	C3	H11	108.451
H10	C3	H11	108.887

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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