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	hartrees
Energy at 0K	-192.486030
Energy at 298.15K	-192.495041
HF Energy	-192.045337
Nuclear repulsion energy	132.810968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3459	3352	3.53
2	A	3114	3018	25.77
3	A	3111	3015	43.73
4	A	3104	3008	0.63
5	A	3083	2988	26.77
6	A	3038	2944	9.17
7	A	3021	2928	17.78
8	A	2987	2895	47.27
9	A	1587	1538	8.29
10	A	1574	1525	4.42
11	A	1568	1520	0.30
12	A	1561	1513	1.39
13	A	1478	1432	6.99
14	A	1462	1417	2.76
15	A	1459	1414	20.67
16	A	1417	1373	10.43
17	A	1316	1275	48.28
18	A	1224	1186	27.87
19	A	1176	1140	7.19
20	A	1104	1070	22.32
21	A	989	958	0.66
22	A	958	928	0.18
23	A	951	922	35.29
24	A	805	780	1.91
25	A	463	449	9.56
26	A	391	379	9.90
27	A	362	351	0.85
28	A	328	318	137.51
29	A	267	258	0.83
30	A	227	220	2.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.002	0.026	0.393
C2	-1.244	-0.744	-0.113
C3	1.312	-0.613	-0.094
O4	0.022	1.393	-0.169
H5	-0.010	0.056	1.497
H6	-2.171	-0.264	0.238
H7	-1.238	-0.740	-1.211
H8	-1.232	-1.782	0.248
H9	2.163	-0.010	0.248
H10	1.410	-1.638	0.287
H11	1.312	-0.627	-1.193
H12	-0.813	1.847	0.123

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5465	1.5400	1.4782	1.1040	2.1938	2.1652	2.1915	2.1698	2.1847	2.1604	2.0116
C2	1.5465		2.5593	2.4842	2.1796	1.1013	1.0985	1.0989	3.5036	2.8284	2.7770	2.6366
C3	1.5400	2.5593		2.3857	2.1742	3.5159	2.7868	2.8206	1.0975	1.0986	1.0983	3.2578
O4	1.4782	2.4842	2.3857		2.1365	2.7782	2.6869	3.4387	2.5937	3.3647	2.6061	0.9948
H5	1.1040	2.1796	2.1742	2.1365		2.5205	3.0776	2.5353	2.5071	2.5198	3.0737	2.3957
H6	2.1938	1.1013	3.5159	2.7782	2.5205		1.7879	1.7850	4.3411	3.8353	3.7826	2.5118
H7	2.1652	1.0985	2.7868	2.6869	3.0776	1.7879		1.7933	3.7722	3.1721	2.5526	2.9408
H8	2.1915	1.0989	2.8206	3.4387	2.5353	1.7850	1.7933		3.8292	2.6455	3.1432	3.6547
H9	2.1698	3.5036	1.0975	2.5937	2.5071	4.3411	3.7722	3.8292		1.7942	1.7838	3.5105
H10	2.1847	2.8284	1.0986	3.3647	2.5198	3.8353	3.1721	2.6455	1.7942		1.7947	4.1368
H11	2.1604	2.7770	1.0983	2.6061	3.0737	3.7826	2.5526	3.1432	1.7838	1.7947		3.5170
H12	2.0116	2.6366	3.2578	0.9948	2.3957	2.5118	2.9408	3.6547	3.5105	4.1368	3.5170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.777	C1	C2	H7	108.714
C1	C2	H8	110.742	C1	C3	H9	109.568
C1	C3	H10	110.670	C1	C3	H11	108.788
C1	O4	H12	107.247	C2	C1	C3	112.033
C2	C1	O4	110.414	C2	C1	H5	109.512
C3	C1	O4	104.437	C3	C1	H5	109.531
O4	C1	H5	110.835	H6	C2	H7	108.732
H6	C2	H8	108.447	H7	C2	H8	109.397
H9	C3	H10	109.571	H9	C3	H11	108.658
H10	C3	H11	109.551

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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