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	hartrees
Energy at 0K	-193.899867
Energy at 298.15K	-193.908974
HF Energy	-193.143071
Nuclear repulsion energy	135.628063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3880	3647	22.25
2	A	3224	3030	12.96
3	A	3222	3028	25.54
4	A	3215	3022	3.24
5	A	3197	3004	19.64
6	A	3121	2933	7.92
7	A	3106	2920	12.38
8	A	3060	2876	47.68
9	A	1553	1459	5.77
10	A	1539	1446	3.94
11	A	1530	1438	1.33
12	A	1524	1432	0.90
13	A	1463	1375	22.53
14	A	1437	1351	19.81
15	A	1416	1331	2.12
16	A	1403	1318	10.66
17	A	1304	1226	48.97
18	A	1222	1148	37.49
19	A	1191	1119	18.19
20	A	1124	1056	25.12
21	A	1007	946	29.55
22	A	972	914	1.85
23	A	946	889	0.55
24	A	856	805	3.54
25	A	485	456	6.35
26	A	418	393	8.57
27	A	366	344	1.76
28	A	321	302	104.42
29	A	285	268	1.81
30	A	238	224	5.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.001	0.047	0.371
C2	-1.203	-0.745	-0.105
C3	1.293	-0.581	-0.088
O4	-0.005	1.354	-0.170
H5	-0.007	0.082	1.468
H6	-2.131	-0.270	0.218
H7	-1.205	-0.796	-1.193
H8	-1.190	-1.759	0.295
H9	2.139	0.016	0.248
H10	1.393	-1.589	0.309
H11	1.315	-0.627	-1.176
H12	-0.810	1.782	0.126

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5169	1.5099	1.4149	1.0973	2.1592	2.1461	2.1637	2.1435	2.1501	2.1400	1.9298
C2	1.5169		2.5024	2.4183	2.1418	1.0907	1.0892	1.0899	3.4462	2.7611	2.7396	2.5679
C3	1.5099	2.5024		2.3316	2.1337	3.4519	2.7398	2.7753	1.0881	1.0887	1.0892	3.1703
O4	1.4149	2.4183	2.3316		2.0744	2.7034	2.6657	3.3634	2.5619	3.2937	2.5842	0.9585
H5	1.0973	2.1418	2.1337	2.0744		2.4891	3.0466	2.4821	2.4698	2.4688	3.0401	2.3095
H6	2.1592	1.0907	3.4519	2.7034	2.4891		1.7673	1.7629	4.2796	3.7635	3.7342	2.4421
H7	2.1461	1.0892	2.7398	2.6657	3.0466	1.7673		1.7728	3.7303	3.1036	2.5254	2.9222
H8	2.1637	1.0899	2.7753	3.3634	2.4821	1.7629	1.7728		3.7728	2.5881	3.1181	3.5651
H9	2.1435	3.4462	1.0881	2.5619	2.4698	4.2796	3.7303	3.7728		1.7713	1.7665	3.4394
H10	2.1501	2.7611	1.0887	3.2937	2.4688	3.7635	3.1036	2.5881	1.7713		1.7720	4.0310
H11	2.1400	2.7396	1.0892	2.5842	3.0401	3.7342	2.5254	3.1181	1.7665	1.7720		3.4659
H12	1.9298	2.5679	3.1703	0.9585	2.3095	2.4421	2.9222	3.5651	3.4394	4.0310	3.4659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.733	C1	C2	H7	109.781
C1	C2	H8	111.149	C1	C3	H9	110.130
C1	C3	H10	110.622	C1	C3	H11	109.785
C1	O4	H12	107.225	C2	C1	C3	111.532
C2	C1	O4	111.100	C2	C1	H5	108.971
C3	C1	O4	105.681	C3	C1	H5	108.817
O4	C1	H5	110.696	H6	C2	H7	108.328
H6	C2	H8	107.892	H7	C2	H8	108.882
H9	C3	H10	108.917	H9	C3	H11	108.447
H10	C3	H11	108.895

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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