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	hartrees
Energy at 0K	-193.972525
Energy at 298.15K	-193.981540
HF Energy	-193.194950
Nuclear repulsion energy	135.335291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3849	3655	24.55
2	A	3181	3020	17.05
3	A	3174	3014	34.82
4	A	3167	3007	4.13
5	A	3153	2994	25.37
6	A	3080	2925	11.50
7	A	3067	2912	16.16
8	A	3037	2884	46.07
9	A	1524	1447	6.75
10	A	1512	1436	5.08
11	A	1502	1426	1.93
12	A	1497	1421	0.54
13	A	1439	1366	22.78
14	A	1414	1342	20.04
15	A	1394	1324	3.39
16	A	1383	1314	7.81
17	A	1288	1223	43.76
18	A	1201	1141	32.38
19	A	1171	1112	21.88
20	A	1108	1052	24.74
21	A	987	938	37.95
22	A	955	907	1.75
23	A	933	886	0.25
24	A	841	799	4.70
25	A	481	457	5.90
26	A	414	393	10.55
27	A	360	342	1.95
28	A	299	284	88.51
29	A	272	259	12.86
30	A	218	207	6.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.046	0.368
C2	-1.193	-0.768	-0.104
C3	1.307	-0.564	-0.088
O4	-0.030	1.362	-0.169
H5	-0.008	0.082	1.463
H6	-2.127	-0.306	0.218
H7	-1.195	-0.822	-1.192
H8	-1.162	-1.779	0.299
H9	2.143	0.044	0.251
H10	1.419	-1.571	0.310
H11	1.331	-0.611	-1.176
H12	-0.842	1.783	0.125

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5191	1.5123	1.4216	1.0959	2.1608	2.1476	2.1648	2.1459	2.1518	2.1416	1.9453
C2	1.5191		2.5084	2.4271	2.1408	1.0904	1.0891	1.0896	3.4515	2.7642	2.7472	2.5844
C3	1.5123	2.5084		2.3454	2.1332	3.4570	2.7463	2.7794	1.0876	1.0885	1.0891	3.1885
O4	1.4216	2.4271	2.3454		2.0742	2.7068	2.6780	3.3716	2.5753	3.3058	2.5993	0.9604
H5	1.0959	2.1408	2.1332	2.0742		2.4883	3.0454	2.4805	2.4687	2.4693	3.0391	2.3192
H6	2.1608	1.0904	3.4570	2.7068	2.4883		1.7674	1.7632	4.2840	3.7661	3.7411	2.4537
H7	2.1476	1.0891	2.7463	2.6780	3.0454	1.7674		1.7721	3.7375	3.1058	2.5349	2.9398
H8	2.1648	1.0896	2.7794	3.3716	2.4805	1.7632	1.7721		3.7751	2.5900	3.1243	3.5806
H9	2.1459	3.4515	1.0876	2.5753	2.4687	4.2840	3.7375	3.7751		1.7707	1.7669	3.4560
H10	2.1518	2.7642	1.0885	3.3058	2.4693	3.7661	3.1058	2.5900	1.7707		1.7710	4.0485
H11	2.1416	2.7472	1.0891	2.5993	3.0391	3.7411	2.5349	3.1243	1.7669	1.7710		3.4844
H12	1.9453	2.5844	3.1885	0.9604	2.3192	2.4537	2.9398	3.5806	3.4560	4.0485	3.4844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.732	C1	C2	H7	109.759
C1	C2	H8	111.099	C1	C3	H9	110.179
C1	C3	H10	110.601	C1	C3	H11	109.746
C1	O4	H12	107.930	C2	C1	C3	111.680
C2	C1	O4	111.207	C2	C1	H5	108.830
C3	C1	O4	106.105	C3	C1	H5	108.692
O4	C1	H5	110.283	H6	C2	H7	108.374
H6	C2	H8	107.956	H7	C2	H8	108.847
H9	C3	H10	108.912	H9	C3	H11	108.524
H10	C3	H11	108.834

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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