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	hartrees
Energy at 0K	-193.790492
Energy at 298.15K	-193.799584
HF Energy	-193.137546
Nuclear repulsion energy	135.051756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3866	3631	21.73
2	A	3234	3037	19.12
3	A	3226	3030	40.63
4	A	3220	3025	2.94
5	A	3205	3010	27.93
6	A	3125	2935	13.38
7	A	3111	2922	20.48
8	A	3084	2897	50.92
9	A	1555	1461	8.80
10	A	1545	1451	5.23
11	A	1534	1441	0.52
12	A	1530	1437	1.23
13	A	1471	1382	20.04
14	A	1457	1368	22.29
15	A	1426	1339	0.53
16	A	1406	1321	15.85
17	A	1295	1216	37.34
18	A	1227	1152	26.61
19	A	1185	1113	25.38
20	A	1115	1047	29.07
21	A	997	936	44.59
22	A	979	920	3.76
23	A	955	897	0.12
24	A	848	797	7.66
25	A	491	461	7.35
26	A	422	397	12.26
27	A	370	347	1.08
28	A	311	292	111.13
29	A	284	267	15.27
30	A	232	218	9.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	0.033	0.370
C2	-1.192	-0.776	-0.105
C3	1.319	-0.551	-0.092
O4	-0.042	1.368	-0.160
H5	-0.006	0.082	1.465
H6	-2.128	-0.326	0.228
H7	-1.197	-0.821	-1.193
H8	-1.151	-1.791	0.290
H9	2.145	0.072	0.243
H10	1.451	-1.556	0.307
H11	1.338	-0.599	-1.180
H12	-0.892	1.761	0.077

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5185	1.5128	1.4374	1.0958	2.1645	2.1471	2.1598	2.1469	2.1511	2.1417	1.9677
C2	1.5185		2.5210	2.4342	2.1462	1.0905	1.0890	1.0897	3.4605	2.7863	2.7550	2.5617
C3	1.5128	2.5210		2.3535	2.1397	3.4688	2.7595	2.7903	1.0876	1.0890	1.0889	3.2034
O4	1.4374	2.4342	2.3535		2.0729	2.7152	2.6823	3.3789	2.5734	3.3159	2.6103	0.9661
H5	1.0958	2.1462	2.1397	2.0729		2.4899	3.0491	2.4903	2.4735	2.4785	3.0436	2.3519
H6	2.1645	1.0905	3.4688	2.7152	2.4899		1.7689	1.7622	4.2911	3.7853	3.7510	2.4303
H7	2.1471	1.0890	2.7595	2.6823	3.0491	1.7689		1.7722	3.7453	3.1311	2.5453	2.8939
H8	2.1598	1.0897	2.7903	3.3789	2.4903	1.7622	1.7722		3.7868	2.6134	3.1273	3.5684
H9	2.1469	3.4605	1.0876	2.5734	2.4735	4.2911	3.7453	3.7868		1.7706	1.7676	3.4785
H10	2.1511	2.7863	1.0890	3.3159	2.4785	3.7853	3.1311	2.6134	1.7706		1.7717	4.0673
H11	2.1417	2.7550	1.0889	2.6103	3.0436	3.7510	2.5453	3.1273	1.7676	1.7717		3.4818
H12	1.9677	2.5617	3.2034	0.9661	2.3519	2.4303	2.8939	3.5684	3.4785	4.0673	3.4818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.063	C1	C2	H7	109.757
C1	C2	H8	110.729	C1	C3	H9	110.229
C1	C3	H10	110.480	C1	C3	H11	109.738
C1	O4	H12	108.304	C2	C1	C3	112.538
C2	C1	O4	110.842	C2	C1	H5	109.296
C3	C1	O4	105.804	C3	C1	H5	109.180
O4	C1	H5	109.082	H6	C2	H7	108.505
H6	C2	H8	107.854	H7	C2	H8	108.864
H9	C3	H10	108.871	H9	C3	H11	108.606
H10	C3	H11	108.876

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

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

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/6-31+G**

States and conformations

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