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	hartrees
Energy at 0K	-192.491878
Energy at 298.15K	-192.500879
HF Energy	-192.044954
Nuclear repulsion energy	132.679563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3438	3334
2	A	3120	3026
3	A	3116	3022
4	A	3109	3015
5	A	3087	2994
6	A	3040	2948
7	A	3021	2930
8	A	2979	2889
9	A	1588	1540
10	A	1574	1526
11	A	1569	1521
12	A	1561	1514
13	A	1475	1430
14	A	1458	1414
15	A	1455	1411
16	A	1413	1370
17	A	1311	1272
18	A	1220	1183
19	A	1171	1136
20	A	1101	1067
21	A	986	957
22	A	953	925
23	A	942	913
24	A	800	776
25	A	461	447
26	A	388	376
27	A	359	348
28	A	329	319
29	A	268	260
30	A	227	220

Atom	x (Å)	y (Å)	z (Å)
C1	-0.002	0.025	0.393
C2	-1.246	-0.743	-0.113
C3	1.312	-0.616	-0.095
O4	0.025	1.396	-0.169
H5	-0.011	0.052	1.498
H6	-2.172	-0.261	0.237
H7	-1.239	-0.738	-1.212
H8	-1.235	-1.781	0.249
H9	2.164	-0.014	0.247
H10	1.408	-1.641	0.289
H11	1.311	-0.632	-1.193
H12	-0.815	1.845	0.125

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5475	1.5408	1.4819	1.1050	2.1947	2.1656	2.1915	2.1707	2.1847	2.1612	2.0112
C2	1.5475		2.5606	2.4891	2.1801	1.1014	1.0986	1.0991	3.5050	2.8300	2.7774	2.6346
C3	1.5408	2.5606		2.3891	2.1753	3.5174	2.7870	2.8213	1.0975	1.0988	1.0984	3.2597
O4	1.4819	2.4891	2.3891		2.1418	2.7822	2.6909	3.4431	2.5949	3.3680	2.6103	0.9968
H5	1.1050	2.1801	2.1753	2.1418		2.5215	3.0781	2.5327	2.5098	2.5175	3.0750	2.3976
H6	2.1947	1.1014	3.5174	2.7822	2.5215		1.7885	1.7852	4.3427	3.8367	3.7832	2.5083
H7	2.1656	1.0986	2.7870	2.6909	3.0781	1.7885		1.7950	3.7719	3.1737	2.5516	2.9392
H8	2.1915	1.0991	2.8213	3.4431	2.5327	1.7852	1.7950		3.8302	2.6466	3.1433	3.6521
H9	2.1707	3.5050	1.0975	2.5949	2.5098	4.3427	3.7719	3.8302		1.7942	1.7837	3.5131
H10	2.1847	2.8300	1.0988	3.3680	2.5175	3.8367	3.1737	2.6466	1.7942		1.7959	4.1373
H11	2.1612	2.7774	1.0984	2.6103	3.0750	3.7832	2.5516	3.1433	1.7837	1.7959		3.5198
H12	2.0112	2.6346	3.2597	0.9968	2.3976	2.5083	2.9392	3.6521	3.5131	4.1373	3.5198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.770	C1	C2	H7	108.661
C1	C2	H8	110.652	C1	C3	H9	109.578
C1	C3	H10	110.601	C1	C3	H11	108.788
C1	O4	H12	106.827	C2	C1	C3	112.019
C2	C1	O4	110.478	C2	C1	H5	109.421
C3	C1	O4	104.423	C3	C1	H5	109.496
O4	C1	H5	110.932	H6	C2	H7	108.767
H6	C2	H8	108.441	H7	C2	H8	109.521
H9	C3	H10	109.559	H9	C3	H11	108.641
H10	C3	H11	109.640

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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