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	hartrees
Energy at 0K	-193.451614
Energy at 298.15K	-193.460491
HF Energy	-193.066841
Nuclear repulsion energy	131.740139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3642	3507	6.24
2	A	3148	3032	40.56
3	A	3137	3021	68.15
4	A	3131	3015	4.78
5	A	3112	2997	41.34
6	A	3033	2921	36.25
7	A	3029	2917	41.94
8	A	3015	2904	29.05
9	A	1546	1489	14.08
10	A	1536	1479	6.44
11	A	1528	1471	0.70
12	A	1522	1466	2.30
13	A	1464	1410	12.26
14	A	1448	1394	22.27
15	A	1432	1379	8.25
16	A	1385	1334	12.33
17	A	1282	1235	31.01
18	A	1217	1172	34.47
19	A	1152	1110	19.51
20	A	1101	1060	35.45
21	A	980	943	0.10
22	A	958	923	0.94
23	A	935	901	43.46
24	A	797	767	11.73
25	A	473	456	9.14
26	A	399	384	12.22
27	A	358	345	4.58
28	A	299	288	161.45
29	A	256	247	11.25
30	A	190	183	8.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.015	0.387
C2	-1.259	-0.748	-0.111
C3	1.324	-0.619	-0.095
O4	0.022	1.409	-0.166
H5	-0.010	0.076	1.494
H6	-2.186	-0.256	0.242
H7	-1.268	-0.769	-1.215
H8	-1.258	-1.787	0.267
H9	2.180	-0.018	0.253
H10	1.422	-1.648	0.298
H11	1.341	-0.652	-1.198
H12	-0.789	1.899	0.104

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5535	1.5445	1.4997	1.1094	2.2074	2.1876	2.2008	2.1836	2.1891	2.1806	2.0626
C2	1.5535		2.5855	2.5086	2.1938	1.1066	1.1043	1.1058	3.5336	2.8570	2.8199	2.6965
C3	1.5445	2.5855		2.4110	2.1882	3.5440	2.8270	2.8562	1.1027	1.1052	1.1039	3.2936
O4	1.4997	2.5086	2.4110		2.1295	2.7951	2.7392	3.4696	2.6204	3.3936	2.6559	0.9858
H5	1.1094	2.1938	2.1882	2.1295		2.5324	3.1037	2.5562	2.5184	2.5399	3.0994	2.4216
H6	2.2074	1.1066	3.5440	2.7951	2.5324		1.7957	1.7900	4.3716	3.8669	3.8300	2.5719
H7	2.1876	1.1043	2.8270	2.7392	3.1037	1.7957		1.7978	3.8215	3.2089	2.6119	3.0138
H8	2.2008	1.1058	2.8562	3.4696	2.5562	1.7900	1.7978		3.8659	2.6835	3.1920	3.7193
H9	2.1836	3.5336	1.1027	2.6204	2.5184	4.3716	3.8215	3.8659		1.7978	1.7925	3.5372
H10	2.1891	2.8570	1.1052	3.3936	2.5399	3.8669	3.2089	2.6835	1.7978		1.7991	4.1841
H11	2.1806	2.8199	1.1039	2.6559	3.0994	3.8300	2.6119	3.1920	1.7925	1.7991		3.5701
H12	2.0626	2.6965	3.2936	0.9858	2.4216	2.5719	3.0138	3.7193	3.5372	4.1841	3.5701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.050	C1	C2	H7	109.635
C1	C2	H8	110.577	C1	C3	H9	110.027
C1	C3	H10	110.314	C1	C3	H11	109.729
C1	O4	H12	110.451	C2	C1	C3	113.145
C2	C1	O4	110.482	C2	C1	H5	109.820
C3	C1	O4	104.732	C3	C1	H5	109.995
O4	C1	H5	108.477	H6	C2	H7	108.630
H6	C2	H8	108.020	H7	C2	H8	108.869
H9	C3	H10	109.028	H9	C3	H11	108.649
H10	C3	H11	109.060

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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