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	hartrees
Energy at 0K	-193.826572
Energy at 298.15K	-193.835666
HF Energy	-193.138065
Nuclear repulsion energy	135.072287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3947	3677	21.17
2	A	3231	3010	23.64
3	A	3222	3002	52.58
4	A	3216	2996	1.40
5	A	3202	2983	32.74
6	A	3133	2919	13.46
7	A	3120	2907	22.53
8	A	3091	2879	51.76
9	A	1562	1455	7.16
10	A	1552	1446	4.28
11	A	1542	1437	0.90
12	A	1538	1433	0.94
13	A	1488	1387	20.43
14	A	1472	1372	21.02
15	A	1441	1343	0.18
16	A	1425	1327	17.65
17	A	1313	1223	50.96
18	A	1238	1153	31.93
19	A	1203	1120	17.33
20	A	1125	1048	27.78
21	A	1013	944	41.01
22	A	985	918	1.07
23	A	960	894	0.09
24	A	854	796	4.85
25	A	494	460	7.92
26	A	426	397	12.33
27	A	371	345	0.97
28	A	304	283	115.70
29	A	279	260	11.70
30	A	228	213	9.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.043	0.365
C2	-1.187	-0.788	-0.103
C3	1.324	-0.545	-0.088
O4	-0.056	1.364	-0.167
H5	-0.007	0.084	1.459
H6	-2.126	-0.340	0.223
H7	-1.192	-0.845	-1.190
H8	-1.138	-1.798	0.302
H9	2.147	0.079	0.252
H10	1.453	-1.549	0.312
H11	1.353	-0.594	-1.176
H12	-0.870	1.786	0.118

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5231	1.5169	1.4255	1.0956	2.1658	2.1518	2.1652	2.1494	2.1552	2.1463	1.9646
C2	1.5231		2.5228	2.4315	2.1432	1.0904	1.0889	1.0892	3.4631	2.7788	2.7641	2.6030
C3	1.5169	2.5228		2.3572	2.1365	3.4702	2.7636	2.7898	1.0874	1.0886	1.0889	3.2081
O4	1.4255	2.4315	2.3572		2.0703	2.7090	2.6861	3.3744	2.5852	3.3157	2.6150	0.9601
H5	1.0956	2.1432	2.1365	2.0703		2.4894	3.0478	2.4819	2.4697	2.4732	3.0423	2.3324
H6	2.1658	1.0904	3.4702	2.7090	2.4894		1.7675	1.7629	4.2937	3.7789	3.7585	2.4717
H7	2.1518	1.0889	2.7636	2.6861	3.0478	1.7675		1.7717	3.7532	3.1230	2.5580	2.9560
H8	2.1652	1.0892	2.7898	3.3744	2.4819	1.7629	1.7717		3.7836	2.6030	3.1366	3.5987
H9	2.1494	3.4631	1.0874	2.5852	2.4697	4.2937	3.7532	3.7836		1.7706	1.7669	3.4694
H10	2.1552	2.7788	1.0886	3.3157	2.4732	3.7789	3.1230	2.6030	1.7706		1.7707	4.0693
H11	2.1463	2.7641	1.0889	2.6150	3.0423	3.7585	2.5580	3.1366	1.7669	1.7707		3.5048
H12	1.9646	2.6030	3.2081	0.9601	2.3324	2.4717	2.9560	3.5987	3.4694	4.0693	3.5048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.850	C1	C2	H7	109.820
C1	C2	H8	110.874	C1	C3	H9	110.144
C1	C3	H10	110.540	C1	C3	H11	109.815
C1	O4	H12	109.328	C2	C1	C3	112.167
C2	C1	O4	111.064	C2	C1	H5	108.759
C3	C1	O4	106.432	C3	C1	H5	108.650
O4	C1	H5	109.714	H6	C2	H7	108.403
H6	C2	H8	107.960	H7	C2	H8	108.863
H9	C3	H10	108.916	H9	C3	H11	108.561
H10	C3	H11	108.823

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

using model chemistry: MP3=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: MP3=FULL/6-31+G**

States and conformations

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