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	hartrees
Energy at 0K	-193.735668
Energy at 298.15K	-193.744760
HF Energy	-193.113613
Nuclear repulsion energy	134.573677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3756	3577	9.86
2	A	3160	3009	24.80
3	A	3153	3003	53.17
4	A	3146	2996	1.45
5	A	3129	2980	32.86
6	A	3072	2926	10.81
7	A	3058	2912	20.46
8	A	3009	2865	58.45
9	A	1558	1484	6.06
10	A	1548	1474	3.59
11	A	1538	1465	1.03
12	A	1533	1460	0.97
13	A	1488	1417	23.26
14	A	1465	1395	18.31
15	A	1439	1370	0.95
16	A	1421	1353	15.38
17	A	1321	1258	61.31
18	A	1231	1172	30.96
19	A	1198	1141	17.03
20	A	1127	1074	25.06
21	A	1005	957	33.73
22	A	981	934	1.91
23	A	954	908	0.26
24	A	850	809	3.77
25	A	494	470	9.36
26	A	423	403	9.88
27	A	370	352	1.67
28	A	323	308	126.37
29	A	281	267	1.08
30	A	234	223	4.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.043	0.367
C2	-1.207	-0.765	-0.104
C3	1.315	-0.570	-0.088
O4	-0.025	1.366	-0.170
H5	-0.007	0.082	1.471
H6	-2.144	-0.294	0.223
H7	-1.212	-0.818	-1.200
H8	-1.185	-1.786	0.300
H9	2.156	0.044	0.254
H10	1.430	-1.585	0.314
H11	1.343	-0.617	-1.184
H12	-0.838	1.799	0.133

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5278	1.5206	1.4275	1.1049	2.1762	2.1607	2.1808	2.1586	2.1675	2.1550	1.9598
C2	1.5278		2.5299	2.4378	2.1541	1.0992	1.0972	1.0979	3.4777	2.7930	2.7732	2.6018
C3	1.5206	2.5299		2.3560	2.1460	3.4848	2.7723	2.8069	1.0960	1.0972	1.0971	3.2092
O4	1.4275	2.4378	2.3560		2.0839	2.7204	2.6906	3.3910	2.5852	3.3252	2.6135	0.9697
H5	1.1049	2.1541	2.1460	2.0839		2.5038	3.0657	2.4996	2.4826	2.4868	3.0595	2.3305
H6	2.1762	1.0992	3.4848	2.7204	2.5038		1.7801	1.7759	4.3140	3.8018	3.7744	2.4691
H7	2.1607	1.0972	2.7723	2.6906	3.0657	1.7801		1.7852	3.7685	3.1401	2.5631	2.9610
H8	2.1808	1.0979	2.8069	3.3910	2.4996	1.7759	1.7852		3.8096	2.6227	3.1555	3.6059
H9	2.1586	3.4777	1.0960	2.5852	2.4826	4.3140	3.7685	3.8096		1.7844	1.7790	3.4725
H10	2.1675	2.7930	1.0972	3.3252	2.4868	3.8018	3.1401	2.6227	1.7844		1.7848	4.0778
H11	2.1550	2.7732	1.0971	2.6135	3.0595	3.7744	2.5631	3.1555	1.7790	1.7848		3.5111
H12	1.9598	2.6018	3.2092	0.9697	2.3305	2.4691	2.9610	3.6059	3.4725	4.0778	3.5111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.810	C1	C2	H7	109.707
C1	C2	H8	111.255	C1	C3	H9	110.112
C1	C3	H10	110.745	C1	C3	H11	109.757
C1	O4	H12	108.157	C2	C1	C3	112.179
C2	C1	O4	111.112	C2	C1	H5	108.743
C3	C1	O4	106.056	C3	C1	H5	108.602
O4	C1	H5	110.100	H6	C2	H7	108.287
H6	C2	H8	107.862	H7	C2	H8	108.837
H9	C3	H10	108.904	H9	C3	H11	108.418
H10	C3	H11	108.857

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

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

States and conformations

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