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	hartrees
Energy at 0K	-193.760551
Energy at 298.15K	-193.769616
HF Energy	-193.133496
Nuclear repulsion energy	134.513161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3838	3656	20.08
2	A	3197	3045	18.95
3	A	3191	3040	36.67
4	A	3185	3034	4.24
5	A	3168	3017	27.38
6	A	3088	2941	12.46
7	A	3073	2927	18.61
8	A	3023	2880	65.15
9	A	1508	1437	5.17
10	A	1497	1426	4.85
11	A	1486	1416	3.23
12	A	1479	1409	0.89
13	A	1443	1375	21.14
14	A	1410	1343	22.22
15	A	1391	1325	3.18
16	A	1374	1309	9.18
17	A	1293	1232	51.21
18	A	1204	1147	36.42
19	A	1173	1117	16.55
20	A	1116	1063	22.29
21	A	993	946	30.54
22	A	954	908	2.06
23	A	927	883	0.11
24	A	846	806	4.08
25	A	484	461	7.33
26	A	415	395	10.69
27	A	360	343	2.04
28	A	323	308	103.29
29	A	282	269	1.92
30	A	229	218	3.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.044	0.369
C2	-1.201	-0.771	-0.105
C3	1.320	-0.561	-0.089
O4	-0.033	1.367	-0.166
H5	-0.007	0.081	1.479
H6	-2.146	-0.311	0.234
H7	-1.213	-0.811	-1.207
H8	-1.167	-1.800	0.290
H9	2.162	0.065	0.247
H10	1.448	-1.578	0.316
H11	1.344	-0.611	-1.191
H12	-0.877	1.751	0.111

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5272	1.5217	1.4281	1.1112	2.1805	2.1650	2.1844	2.1643	2.1739	2.1595	1.9370
C2	1.5272		2.5299	2.4369	2.1586	1.1045	1.1029	1.1030	3.4828	2.8009	2.7715	2.5515
C3	1.5217	2.5299		2.3569	2.1525	3.4904	2.7799	2.8049	1.1013	1.1021	1.1029	3.1955
O4	1.4281	2.4369	2.3569		2.0893	2.7279	2.6870	3.3952	2.5856	3.3317	2.6186	0.9674
H5	1.1112	2.1586	2.1525	2.0893		2.5061	3.0765	2.5096	2.4945	2.4939	3.0711	2.3283
H6	2.1805	1.1045	3.4904	2.7279	2.5061		1.7883	1.7831	4.3244	3.8119	3.7816	2.4243
H7	2.1650	1.1029	2.7799	2.6870	3.0765	1.7883		1.7946	3.7775	3.1602	2.5646	2.9006
H8	2.1844	1.1030	2.8049	3.3952	2.5096	1.7831	1.7946		3.8162	2.6249	3.1486	3.5675
H9	2.1643	3.4828	1.1013	2.5856	2.4945	4.3244	3.7775	3.8162		1.7923	1.7866	3.4779
H10	2.1739	2.8009	1.1021	3.3317	2.4939	3.8119	3.1602	2.6249	1.7923		1.7936	4.0654
H11	2.1595	2.7715	1.1029	2.6186	3.0711	3.7816	2.5646	3.1486	1.7866	1.7936		3.4931
H12	1.9370	2.5515	3.1955	0.9674	2.3283	2.4243	2.9006	3.5675	3.4779	4.0654	3.4931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.881	C1	C2	H7	109.753
C1	C2	H8	111.272	C1	C3	H9	110.178
C1	C3	H10	110.880	C1	C3	H11	109.704
C1	O4	H12	106.328	C2	C1	C3	112.151
C2	C1	O4	111.050	C2	C1	H5	108.776
C3	C1	O4	106.031	C3	C1	H5	108.677
O4	C1	H5	110.110	H6	C2	H7	108.217
H6	C2	H8	107.753	H7	C2	H8	108.879
H9	C3	H10	108.860	H9	C3	H11	108.305
H10	C3	H11	108.860

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

using model chemistry: MP2/cc-pVDZ

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-pVDZ

States and conformations

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