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	hartrees
Energy at 0K	-193.723846
Energy at 298.15K	-193.732963
HF Energy	-193.114128
Nuclear repulsion energy	134.792616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3809	3575	13.34
2	A	3199	3003	21.25
3	A	3192	2996	47.04
4	A	3186	2990	1.22
5	A	3169	2975	29.78
6	A	3108	2917	9.83
7	A	3094	2904	17.57
8	A	3046	2859	56.08
9	A	1569	1473	6.71
10	A	1559	1463	3.94
11	A	1548	1453	1.15
12	A	1544	1449	0.99
13	A	1498	1406	24.65
14	A	1474	1384	20.79
15	A	1449	1360	1.24
16	A	1432	1344	15.89
17	A	1330	1249	64.76
18	A	1241	1165	34.54
19	A	1210	1136	14.92
20	A	1135	1065	26.10
21	A	1016	954	31.94
22	A	987	926	1.34
23	A	959	900	0.35
24	A	858	805	3.13
25	A	497	466	9.42
26	A	426	400	10.16
27	A	372	349	1.67
28	A	324	304	128.91
29	A	282	264	0.97
30	A	235	221	4.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.039	0.368
C2	-1.199	-0.774	-0.104
C3	1.322	-0.556	-0.089
O4	-0.040	1.364	-0.168
H5	-0.007	0.087	1.469
H6	-2.138	-0.314	0.225
H7	-1.204	-0.822	-1.197
H8	-1.166	-1.793	0.295
H9	2.153	0.069	0.250
H10	1.452	-1.566	0.312
H11	1.347	-0.602	-1.182
H12	-0.869	1.774	0.121

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5247	1.5190	1.4295	1.1017	2.1726	2.1551	2.1742	2.1548	2.1646	2.1503	1.9558
C2	1.5247		2.5304	2.4327	2.1530	1.0963	1.0943	1.0949	3.4739	2.7978	2.7697	2.5788
C3	1.5190	2.5304		2.3550	2.1457	3.4824	2.7715	2.8055	1.0929	1.0943	1.0943	3.2046
O4	1.4295	2.4327	2.3550		2.0763	2.7148	2.6817	3.3839	2.5801	3.3226	2.6105	0.9689
H5	1.1017	2.1530	2.1457	2.0763		2.4994	3.0604	2.5015	2.4798	2.4898	3.0547	2.3245
H6	2.1726	1.0963	3.4824	2.7148	2.4994		1.7759	1.7712	4.3074	3.8029	3.7689	2.4449
H7	2.1551	1.0943	2.7715	2.6817	3.0604	1.7759		1.7808	3.7622	3.1441	2.5604	2.9304
H8	2.1742	1.0949	2.8055	3.3839	2.5015	1.7712	1.7808		3.8060	2.6284	3.1488	3.5834
H9	2.1548	3.4739	1.0929	2.5801	2.4798	4.3074	3.7622	3.8060		1.7799	1.7743	3.4713
H10	2.1646	2.7978	1.0943	3.3226	2.4898	3.8029	3.1441	2.6284	1.7799		1.7804	4.0712
H11	2.1503	2.7697	1.0943	2.6105	3.0547	3.7689	2.5604	3.1488	1.7743	1.7804		3.5000
H12	1.9558	2.5788	3.2046	0.9689	2.3245	2.4449	2.9304	3.5834	3.4713	4.0712	3.5000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.918	C1	C2	H7	109.652
C1	C2	H8	111.133	C1	C3	H9	110.105
C1	C3	H10	110.798	C1	C3	H11	109.664
C1	O4	H12	107.713	C2	C1	C3	112.479
C2	C1	O4	110.831	C2	C1	H5	109.059
C3	C1	O4	105.973	C3	C1	H5	108.879
O4	C1	H5	109.548	H6	C2	H7	108.326
H6	C2	H8	107.869	H7	C2	H8	108.864
H9	C3	H10	108.928	H9	C3	H11	108.423
H10	C3	H11	108.875

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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