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	hartrees
Energy at 0K	-193.455170
Energy at 298.15K	-193.464048
HF Energy	-193.067525
Nuclear repulsion energy	131.758646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3514	6.36
2	A	3147	3038	39.77
3	A	3136	3027	66.90
4	A	3130	3021	4.72
5	A	3111	3003	40.73
6	A	3031	2926	30.87
7	A	3027	2922	46.03
8	A	3014	2909	28.94
9	A	1546	1492	14.10
10	A	1536	1482	6.46
11	A	1528	1475	0.71
12	A	1522	1469	2.29
13	A	1464	1413	12.28
14	A	1447	1397	22.35
15	A	1431	1382	8.23
16	A	1384	1336	12.36
17	A	1282	1237	30.81
18	A	1216	1174	34.51
19	A	1152	1112	19.66
20	A	1101	1063	35.25
21	A	979	945	0.10
22	A	958	925	0.94
23	A	935	902	43.52
24	A	796	769	11.83
25	A	473	456	9.16
26	A	399	385	12.20
27	A	358	345	4.55
28	A	299	289	161.07
29	A	257	248	11.25
30	A	191	184	8.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.015	0.387
C2	-1.258	-0.747	-0.111
C3	1.323	-0.620	-0.095
O4	0.022	1.409	-0.166
H5	-0.010	0.076	1.494
H6	-2.185	-0.256	0.241
H7	-1.267	-0.768	-1.215
H8	-1.258	-1.787	0.267
H9	2.179	-0.018	0.253
H10	1.421	-1.648	0.298
H11	1.341	-0.652	-1.198
H12	-0.789	1.899	0.105

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5531	1.5441	1.4998	1.1094	2.2070	2.1871	2.2003	2.1831	2.1886	2.1802	2.0622
C2	1.5531		2.5848	2.5082	2.1936	1.1065	1.1042	1.1057	3.5328	2.8562	2.8191	2.6961
C3	1.5441	2.5848		2.4106	2.1879	3.5432	2.8261	2.8554	1.1026	1.1051	1.1038	3.2929
O4	1.4998	2.5082	2.4106		2.1296	2.7947	2.7385	3.4692	2.6199	3.3932	2.6553	0.9859
H5	1.1094	2.1936	2.1879	2.1296		2.5321	3.1034	2.5559	2.5180	2.5395	3.0990	2.4209
H6	2.2070	1.1065	3.5432	2.7947	2.5321		1.7956	1.7899	4.3708	3.8660	3.8291	2.5713
H7	2.1871	1.1042	2.8261	2.7385	3.1034	1.7956		1.7977	3.8205	3.2080	2.6108	3.0136
H8	2.2003	1.1057	2.8554	3.4692	2.5559	1.7899	1.7977		3.8650	2.6826	3.1912	3.7187
H9	2.1831	3.5328	1.1026	2.6199	2.5180	4.3708	3.8205	3.8650		1.7977	1.7924	3.5364
H10	2.1886	2.8562	1.1051	3.3932	2.5395	3.8660	3.2080	2.6826	1.7977		1.7991	4.1833
H11	2.1802	2.8191	1.1038	2.6553	3.0990	3.8291	2.6108	3.1912	1.7924	1.7991		3.5696
H12	2.0622	2.6961	3.2929	0.9859	2.4209	2.5713	3.0136	3.7187	3.5364	4.1833	3.5696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.051	C1	C2	H7	109.628
C1	C2	H8	110.571	C1	C3	H9	110.026
C1	C3	H10	110.305	C1	C3	H11	109.727
C1	O4	H12	110.404	C2	C1	C3	113.142
C2	C1	O4	110.476	C2	C1	H5	109.830
C3	C1	O4	104.723	C3	C1	H5	109.999
O4	C1	H5	108.480	H6	C2	H7	108.635
H6	C2	H8	108.021	H7	C2	H8	108.877
H9	C3	H10	109.031	H9	C3	H11	108.654
H10	C3	H11	109.066

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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