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	hartrees
Energy at 0K	-193.771864
Energy at 298.15K	-193.780971
HF Energy	-193.156036
Nuclear repulsion energy	135.025006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3836	3645	12.90
2	A	3184	3026	20.84
3	A	3179	3021	45.47
4	A	3172	3014	3.40
5	A	3154	2997	30.63
6	A	3084	2930	11.55
7	A	3068	2916	19.21
8	A	3034	2884	58.24
9	A	1549	1472	11.01
10	A	1538	1461	5.78
11	A	1524	1449	1.28
12	A	1520	1444	1.94
13	A	1470	1397	24.97
14	A	1446	1374	25.67
15	A	1426	1355	5.53
16	A	1407	1337	16.68
17	A	1307	1242	55.04
18	A	1222	1161	34.09
19	A	1191	1132	20.09
20	A	1124	1068	29.02
21	A	1001	952	34.92
22	A	971	923	1.92
23	A	946	899	0.21
24	A	849	807	3.46
25	A	494	469	10.56
26	A	425	404	13.92
27	A	370	351	2.23
28	A	325	308	130.22
29	A	285	271	0.23
30	A	228	216	6.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.044	0.367
C2	-1.206	-0.760	-0.104
C3	1.310	-0.572	-0.088
O4	-0.021	1.361	-0.169
H5	-0.008	0.083	1.467
H6	-2.138	-0.289	0.224
H7	-1.213	-0.807	-1.196
H8	-1.187	-1.778	0.296
H9	2.149	0.039	0.253
H10	1.424	-1.583	0.311
H11	1.338	-0.617	-1.180
H12	-0.828	1.790	0.126

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5246	1.5164	1.4220	1.1015	2.1700	2.1536	2.1767	2.1507	2.1617	2.1482	1.9480
C2	1.5246		2.5233	2.4302	2.1479	1.0950	1.0930	1.0940	3.4669	2.7863	2.7659	2.5879
C3	1.5164	2.5233		2.3486	2.1413	3.4744	2.7654	2.8003	1.0919	1.0930	1.0931	3.1933
O4	1.4220	2.4302	2.3486		2.0762	2.7126	2.6786	3.3810	2.5762	3.3144	2.6042	0.9601
H5	1.1015	2.1479	2.1413	2.0762		2.4946	3.0553	2.4956	2.4755	2.4821	3.0510	2.3210
H6	2.1700	1.0950	3.4744	2.7126	2.4946		1.7725	1.7686	4.2999	3.7908	3.7636	2.4592
H7	2.1536	1.0930	2.7654	2.6786	3.0553	1.7725		1.7798	3.7568	3.1339	2.5577	2.9392
H8	2.1767	1.0940	2.8003	3.3810	2.4956	1.7686	1.7798		3.7993	2.6184	3.1471	3.5903
H9	2.1507	3.4669	1.0919	2.5762	2.4755	4.2999	3.7568	3.7993		1.7775	1.7721	3.4564
H10	2.1617	2.7863	1.0930	3.3144	2.4821	3.7908	3.1339	2.6184	1.7775		1.7787	4.0598
H11	2.1482	2.7659	1.0931	2.6042	3.0510	3.7636	2.5577	3.1471	1.7721	1.7787		3.4913
H12	1.9480	2.5879	3.1933	0.9601	2.3210	2.4592	2.9392	3.5903	3.4564	4.0598	3.4913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.802	C1	C2	H7	109.618
C1	C2	H8	111.399	C1	C3	H9	110.022
C1	C3	H10	110.828	C1	C3	H11	109.750
C1	O4	H12	108.160	C2	C1	C3	112.150
C2	C1	O4	111.082	C2	C1	H5	108.684
C3	C1	O4	106.078	C3	C1	H5	108.727
O4	C1	H5	110.077	H6	C2	H7	108.205
H6	C2	H8	107.794	H7	C2	H8	108.937
H9	C3	H10	108.890	H9	C3	H11	108.391
H10	C3	H11	108.911

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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