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	hartrees
Energy at 0K	-193.645886
Energy at 298.15K	-193.655072
HF Energy	-193.114945
Nuclear repulsion energy	135.311793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3920	3621	21.03
2	A	3251	3003	25.03
3	A	3244	2997	53.88
4	A	3237	2990	0.96
5	A	3220	2974	33.29
6	A	3162	2920	9.79
7	A	3147	2907	21.29
8	A	3107	2870	59.46
9	A	1600	1478	5.86
10	A	1590	1469	3.50
11	A	1579	1459	1.30
12	A	1575	1455	0.83
13	A	1531	1414	23.83
14	A	1510	1395	21.32
15	A	1482	1369	0.48
16	A	1464	1352	17.61
17	A	1355	1251	70.94
18	A	1269	1172	39.56
19	A	1236	1142	13.68
20	A	1154	1066	27.73
21	A	1042	962	34.97
22	A	1007	930	0.84
23	A	980	905	0.30
24	A	874	807	2.96
25	A	507	468	9.83
26	A	435	401	10.12
27	A	379	350	1.63
28	A	328	303	134.19
29	A	286	264	0.91
30	A	239	221	4.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.041	0.365
C2	-1.194	-0.773	-0.103
C3	1.319	-0.552	-0.088
O4	-0.043	1.358	-0.168
H5	-0.007	0.090	1.460
H6	-2.130	-0.317	0.224
H7	-1.202	-0.827	-1.191
H8	-1.161	-1.787	0.298
H9	2.146	0.069	0.249
H10	1.450	-1.558	0.312
H11	1.348	-0.601	-1.176
H12	-0.860	1.774	0.121

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5205	1.5149	1.4208	1.0962	2.1660	2.1505	2.1673	2.1485	2.1583	2.1453	1.9505
C2	1.5205		2.5230	2.4228	2.1445	1.0916	1.0896	1.0901	3.4631	2.7888	2.7649	2.5792
C3	1.5149	2.5230		2.3472	2.1374	3.4715	2.7660	2.7970	1.0883	1.0897	1.0896	3.1945
O4	1.4208	2.4228	2.3472		2.0637	2.7043	2.6761	3.3694	2.5742	3.3101	2.6051	0.9615
H5	1.0962	2.1445	2.1374	2.0637		2.4907	3.0496	2.4913	2.4707	2.4812	3.0437	2.3148
H6	2.1660	1.0916	3.4715	2.7043	2.4907		1.7671	1.7625	4.2942	3.7901	3.7602	2.4487
H7	2.1505	1.0896	2.7660	2.6761	3.0496	1.7671		1.7720	3.7539	3.1349	2.5606	2.9331
H8	2.1673	1.0901	2.7970	3.3694	2.4913	1.7625	1.7720		3.7929	2.6208	3.1422	3.5780
H9	2.1485	3.4631	1.0883	2.5742	2.4707	4.2942	3.7539	3.7929		1.7709	1.7656	3.4585
H10	2.1583	2.7888	1.0897	3.3101	2.4812	3.7901	3.1349	2.6208	1.7709		1.7717	4.0587
H11	2.1453	2.7649	1.0896	2.6051	3.0437	3.7602	2.5606	3.1422	1.7656	1.7717		3.4926
H12	1.9505	2.5792	3.1945	0.9615	2.3148	2.4487	2.9331	3.5780	3.4585	4.0587	3.4926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.973	C1	C2	H7	109.859
C1	C2	H8	111.164	C1	C3	H9	110.169
C1	C3	H10	110.864	C1	C3	H11	109.840
C1	O4	H12	108.373	C2	C1	C3	112.448
C2	C1	O4	110.877	C2	C1	H5	109.005
C3	C1	O4	106.129	C3	C1	H5	108.830
O4	C1	H5	109.482	H6	C2	H7	108.219
H6	C2	H8	107.766	H7	C2	H8	108.771
H9	C3	H10	108.804	H9	C3	H11	108.326
H10	C3	H11	108.783

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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