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	hartrees
Energy at 0K	-192.442709
Energy at 298.15K	-192.451769
HF Energy	-192.046044
Nuclear repulsion energy	133.175634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3497	3327	1.59
2	A	3181	3026	23.36
3	A	3177	3023	37.27
4	A	3171	3017	0.81
5	A	3149	2996	24.88
6	A	3096	2945	8.58
7	A	3079	2929	15.31
8	A	3044	2896	50.58
9	A	1612	1533	8.89
10	A	1598	1520	4.73
11	A	1592	1515	0.26
12	A	1585	1508	1.43
13	A	1496	1423	7.68
14	A	1479	1407	2.99
15	A	1474	1402	20.75
16	A	1435	1365	11.24
17	A	1325	1260	41.36
18	A	1239	1178	30.85
19	A	1189	1131	8.08
20	A	1117	1063	24.49
21	A	1003	954	0.78
22	A	972	924	0.14
23	A	958	911	39.19
24	A	817	777	2.46
25	A	469	446	9.32
26	A	394	375	9.95
27	A	366	348	1.01
28	A	334	317	138.56
29	A	275	262	1.03
30	A	234	223	3.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.002	0.024	0.392
C2	-1.242	-0.738	-0.113
C3	1.306	-0.615	-0.094
O4	0.028	1.391	-0.169
H5	-0.011	0.051	1.492
H6	-2.164	-0.256	0.237
H7	-1.236	-0.732	-1.207
H8	-1.235	-1.773	0.246
H9	2.155	-0.018	0.249
H10	1.400	-1.638	0.285
H11	1.305	-0.629	-1.188
H12	-0.806	1.844	0.126

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5410	1.5341	1.4780	1.1001	2.1856	2.1567	2.1839	2.1614	2.1764	2.1519	2.0077
C2	1.5410		2.5509	2.4798	2.1712	1.0971	1.0942	1.0947	3.4912	2.8193	2.7676	2.6297
C3	1.5341	2.5509		2.3799	2.1661	3.5035	2.7769	2.8123	1.0933	1.0945	1.0940	3.2489
O4	1.4780	2.4798	2.3799		2.1337	2.7715	2.6800	3.4314	2.5853	3.3559	2.5982	0.9936
H5	1.1001	2.1712	2.1661	2.1337		2.5107	3.0655	2.5256	2.4977	2.5099	3.0620	2.3896
H6	2.1856	1.0971	3.5035	2.7715	2.5107		1.7812	1.7780	4.3250	3.8223	3.7690	2.5036
H7	2.1567	1.0942	2.7769	2.6800	3.0655	1.7812		1.7867	3.7584	3.1612	2.5437	2.9324
H8	2.1839	1.0947	2.8123	3.4314	2.5256	1.7780	1.7867		3.8168	2.6386	3.1334	3.6439
H9	2.1614	3.4912	1.0933	2.5853	2.4977	4.3250	3.7584	3.8168		1.7873	1.7772	3.4996
H10	2.1764	2.8193	1.0945	3.3559	2.5099	3.8223	3.1612	2.6386	1.7873		1.7880	4.1248
H11	2.1519	2.7676	1.0940	2.5982	3.0620	3.7690	2.5437	3.1334	1.7772	1.7880		3.5071
H12	2.0077	2.6297	3.2489	0.9936	2.3896	2.5036	2.9324	3.6439	3.4996	4.1248	3.5071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.769	C1	C2	H7	108.667
C1	C2	H8	110.774	C1	C3	H9	109.557
C1	C3	H10	110.667	C1	C3	H11	108.773
C1	O4	H12	107.008	C2	C1	C3	112.103
C2	C1	O4	110.439	C2	C1	H5	109.457
C3	C1	O4	104.377	C3	C1	H5	109.526
O4	C1	H5	110.862	H6	C2	H7	108.750
H6	C2	H8	108.429	H7	C2	H8	109.419
H9	C3	H10	109.559	H9	C3	H11	108.684
H10	C3	H11	109.567

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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