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	hartrees
Energy at 0K	-193.706552
Energy at 298.15K	-193.715684
HF Energy	-193.113893
Nuclear repulsion energy	134.963606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3763	3545	16.06
2	A	3215	3029	18.03
3	A	3208	3023	38.46
4	A	3203	3018	2.23
5	A	3184	3000	26.59
6	A	3114	2934	9.35
7	A	3099	2920	15.68
8	A	3051	2875	57.10
9	A	1573	1482	7.20
10	A	1562	1472	4.23
11	A	1551	1462	0.56
12	A	1547	1458	1.11
13	A	1490	1404	22.58
14	A	1470	1385	20.26
15	A	1444	1360	0.98
16	A	1426	1343	14.89
17	A	1319	1243	53.60
18	A	1236	1165	30.82
19	A	1201	1132	20.80
20	A	1131	1066	27.87
21	A	1008	950	34.64
22	A	986	929	3.24
23	A	960	905	0.42
24	A	856	807	4.13
25	A	496	467	9.11
26	A	425	400	10.01
27	A	372	351	2.08
28	A	330	311	127.03
29	A	289	272	1.44
30	A	240	226	5.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.042	0.368
C2	-1.206	-0.755	-0.105
C3	1.304	-0.577	-0.088
O4	-0.013	1.362	-0.170
H5	-0.007	0.077	1.470
H6	-2.138	-0.279	0.221
H7	-1.208	-0.804	-1.197
H8	-1.191	-1.774	0.296
H9	2.147	0.030	0.253
H10	1.411	-1.589	0.310
H11	1.328	-0.621	-1.181
H12	-0.825	1.799	0.133

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5219	1.5142	1.4254	1.1020	2.1674	2.1508	2.1731	2.1495	2.1581	2.1450	1.9551
C2	1.5219		2.5173	2.4313	2.1474	1.0955	1.0934	1.0944	3.4623	2.7787	2.7565	2.5933
C3	1.5142	2.5173		2.3458	2.1389	3.4691	2.7554	2.7942	1.0924	1.0935	1.0934	3.1981
O4	1.4254	2.4313	2.3458		2.0830	2.7132	2.6783	3.3819	2.5727	3.3125	2.5985	0.9702
H5	1.1020	2.1474	2.1389	2.0830		2.4958	3.0546	2.4914	2.4743	2.4768	3.0484	2.3283
H6	2.1674	1.0955	3.4691	2.7132	2.4958		1.7749	1.7707	4.2959	3.7846	3.7539	2.4597
H7	2.1508	1.0934	2.7554	2.6783	3.0546	1.7749		1.7802	3.7481	3.1223	2.5422	2.9476
H8	2.1731	1.0944	2.7942	3.3819	2.4914	1.7707	1.7802		3.7941	2.6091	3.1391	3.5949
H9	2.1495	3.4623	1.0924	2.5727	2.4743	4.2959	3.7481	3.7941		1.7794	1.7740	3.4606
H10	2.1581	2.7787	1.0935	3.3125	2.4768	3.7846	3.1223	2.6091	1.7794		1.7798	4.0638
H11	2.1450	2.7565	1.0934	2.5985	3.0484	3.7539	2.5422	3.1391	1.7740	1.7798		3.4949
H12	1.9551	2.5933	3.1981	0.9702	2.3283	2.4597	2.9476	3.5949	3.4606	4.0638	3.4949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.750	C1	C2	H7	109.555
C1	C2	H8	111.273	C1	C3	H9	110.056
C1	C3	H10	110.674	C1	C3	H11	109.639
C1	O4	H12	107.882	C2	C1	C3	112.021
C2	C1	O4	111.121	C2	C1	H5	108.794
C3	C1	O4	105.840	C3	C1	H5	108.665
O4	C1	H5	110.355	H6	C2	H7	108.361
H6	C2	H8	107.911	H7	C2	H8	108.916
H9	C3	H10	108.980	H9	C3	H11	108.504
H10	C3	H11	108.947

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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