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	hartrees
Energy at 0K	-193.866617
Energy at 298.15K	-193.875666
HF Energy	-193.142962
Nuclear repulsion energy	135.249802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3874	3659	22.02
2	A	3214	3036	13.19
3	A	3210	3032	26.42
4	A	3204	3026	3.33
5	A	3187	3010	20.06
6	A	3110	2938	8.10
7	A	3096	2924	12.33
8	A	3051	2882	47.73
9	A	1539	1454	5.50
10	A	1526	1441	3.89
11	A	1516	1432	1.37
12	A	1510	1426	0.92
13	A	1454	1374	21.50
14	A	1429	1349	19.10
15	A	1409	1331	3.64
16	A	1396	1318	11.23
17	A	1299	1227	48.83
18	A	1212	1144	37.46
19	A	1183	1118	16.98
20	A	1114	1052	24.11
21	A	998	942	30.39
22	A	962	909	1.69
23	A	935	883	0.49
24	A	847	800	3.24
25	A	482	455	6.48
26	A	414	391	8.69
27	A	360	340	1.85
28	A	315	298	103.87
29	A	279	263	2.26
30	A	227	214	4.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.047	0.370
C2	-1.211	-0.745	-0.105
C3	1.299	-0.584	-0.088
O4	-0.003	1.358	-0.171
H5	-0.008	0.083	1.469
H6	-2.139	-0.267	0.219
H7	-1.214	-0.797	-1.195
H8	-1.201	-1.761	0.297
H9	2.147	0.013	0.249
H10	1.397	-1.595	0.311
H11	1.323	-0.632	-1.178
H12	-0.808	1.787	0.126

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5228	1.5157	1.4181	1.0996	2.1664	2.1533	2.1713	2.1506	2.1574	2.1474	1.9340
C2	1.5228		2.5153	2.4265	2.1473	1.0929	1.0916	1.0921	3.4602	2.7747	2.7545	2.5750
C3	1.5157	2.5153		2.3397	2.1396	3.4659	2.7545	2.7892	1.0903	1.0909	1.0916	3.1796
O4	1.4181	2.4265	2.3397		2.0774	2.7116	2.6764	3.3735	2.5702	3.3034	2.5950	0.9593
H5	1.0996	2.1473	2.1396	2.0774		2.4954	3.0543	2.4894	2.4765	2.4762	3.0482	2.3131
H6	2.1664	1.0929	3.4659	2.7116	2.4954		1.7706	1.7662	4.2944	3.7786	3.7509	2.4493
H7	2.1533	1.0916	2.7545	2.6764	3.0543	1.7706		1.7757	3.7467	3.1184	2.5428	2.9313
H8	2.1713	1.0921	2.7892	3.3735	2.4894	1.7662	1.7757		3.7882	2.6033	3.1334	3.5742
H9	2.1506	3.4602	1.0903	2.5702	2.4765	4.2944	3.7467	3.7882		1.7746	1.7698	3.4486
H10	2.1574	2.7747	1.0909	3.3034	2.4762	3.7786	3.1184	2.6033	1.7746		1.7748	4.0421
H11	2.1474	2.7545	1.0916	2.5950	3.0482	3.7509	2.5428	3.1334	1.7698	1.7748		3.4779
H12	1.9340	2.5750	3.1796	0.9593	2.3131	2.4493	2.9313	3.5742	3.4486	4.0421	3.4779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.763	C1	C2	H7	109.800
C1	C2	H8	111.202	C1	C3	H9	110.161
C1	C3	H10	110.660	C1	C3	H11	109.825
C1	O4	H12	107.297	C2	C1	C3	111.742
C2	C1	O4	111.146	C2	C1	H5	108.864
C3	C1	O4	105.738	C3	C1	H5	108.744
O4	C1	H5	110.564	H6	C2	H7	108.305
H6	C2	H8	107.871	H7	C2	H8	108.819
H9	C3	H10	108.902	H9	C3	H11	108.421
H10	C3	H11	108.823

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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