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	hartrees
Energy at 0K	-193.838674
Energy at 298.15K	-193.847770
HF Energy	-193.173382
Nuclear repulsion energy	135.014843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3893	3699	21.10
2	A	3181	3022	20.68
3	A	3175	3017	45.06
4	A	3169	3011	2.28
5	A	3153	2996	29.61
6	A	3080	2926	11.60
7	A	3066	2913	18.16
8	A	3034	2882	55.84
9	A	1530	1454	6.22
10	A	1518	1442	4.95
11	A	1507	1432	2.10
12	A	1502	1427	0.82
13	A	1456	1384	20.16
14	A	1430	1359	23.76
15	A	1412	1342	5.37
16	A	1394	1325	9.89
17	A	1308	1243	48.88
18	A	1214	1154	31.91
19	A	1188	1129	17.13
20	A	1120	1064	25.34
21	A	998	949	35.75
22	A	964	916	1.44
23	A	942	895	0.05
24	A	847	805	4.03
25	A	489	465	8.70
26	A	422	401	12.29
27	A	363	345	0.76
28	A	325	309	104.22
29	A	284	270	5.37
30	A	224	213	3.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.041	0.370
C2	-1.186	-0.786	-0.104
C3	1.328	-0.539	-0.091
O4	-0.058	1.364	-0.162
H5	-0.005	0.081	1.470
H6	-2.129	-0.342	0.234
H7	-1.194	-0.821	-1.197
H8	-1.135	-1.808	0.285
H9	2.152	0.098	0.239
H10	1.471	-1.544	0.314
H11	1.345	-0.590	-1.184
H12	-0.917	1.717	0.083

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5239	1.5183	1.4270	1.1009	2.1701	2.1520	2.1732	2.1536	2.1620	2.1483	1.9328
C2	1.5239		2.5258	2.4291	2.1506	1.0957	1.0938	1.0943	3.4696	2.7944	2.7586	2.5247
C3	1.5183	2.5258		2.3553	2.1445	3.4774	2.7679	2.7965	1.0925	1.0936	1.0939	3.1873
O4	1.4270	2.4291	2.3553		2.0763	2.7123	2.6715	3.3799	2.5783	3.3204	2.6142	0.9603
H5	1.1009	2.1506	2.1445	2.0763		2.4939	3.0564	2.5004	2.4829	2.4816	3.0524	2.3303
H6	2.1701	1.0957	3.4774	2.7123	2.4939		1.7749	1.7713	4.3031	3.7962	3.7601	2.3941
H7	2.1520	1.0938	2.7679	2.6715	3.0564	1.7749		1.7820	3.7551	3.1480	2.5494	2.8560
H8	2.1732	1.0943	2.7965	3.3799	2.5004	1.7713	1.7820		3.8000	2.6201	3.1296	3.5375
H9	2.1536	3.4696	1.0925	2.5783	2.4829	4.3031	3.7551	3.8000		1.7792	1.7749	3.4732
H10	2.1620	2.7944	1.0936	3.3204	2.4816	3.7962	3.1480	2.6201	1.7792		1.7805	4.0489
H11	2.1483	2.7586	1.0939	2.6142	3.0524	3.7601	2.5494	3.1296	1.7749	1.7805		3.4708
H12	1.9328	2.5247	3.1873	0.9603	2.3303	2.3941	2.8560	3.5375	3.4732	4.0489	3.4708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.813	C1	C2	H7	109.489
C1	C2	H8	111.146	C1	C3	H9	110.081
C1	C3	H10	110.680	C1	C3	H11	109.582
C1	O4	H12	106.476	C2	C1	C3	112.244
C2	C1	O4	110.766	C2	C1	H5	108.971
C3	C1	O4	106.159	C3	C1	H5	108.875
O4	C1	H5	109.771	H6	C2	H7	108.314
H6	C2	H8	107.960	H7	C2	H8	109.051
H9	C3	H10	108.945	H9	C3	H11	108.543
H10	C3	H11	108.967

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)