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	hartrees
Energy at 0K	-193.750886
Energy at 298.15K	-193.759992
HF Energy	-193.113770
Nuclear repulsion energy	134.724086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3760	3572	9.93
2	A	3165	3006	23.88
3	A	3158	3000	51.45
4	A	3152	2994	1.26
5	A	3135	2977	31.85
6	A	3078	2923	10.38
7	A	3063	2909	19.75
8	A	3014	2863	57.47
9	A	1560	1482	6.23
10	A	1550	1472	3.66
11	A	1540	1462	1.09
12	A	1535	1458	0.99
13	A	1491	1416	23.45
14	A	1468	1394	18.76
15	A	1442	1370	1.01
16	A	1424	1353	15.58
17	A	1323	1257	61.96
18	A	1234	1172	31.93
19	A	1202	1141	16.32
20	A	1130	1073	25.44
21	A	1009	958	32.98
22	A	983	934	1.67
23	A	956	908	0.30
24	A	853	810	3.55
25	A	495	470	9.35
26	A	425	404	9.92
27	A	371	353	1.61
28	A	325	308	127.03
29	A	282	268	1.01
30	A	235	223	4.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.044	0.367
C2	-1.204	-0.766	-0.104
C3	1.314	-0.568	-0.088
O4	-0.027	1.364	-0.170
H5	-0.007	0.082	1.471
H6	-2.142	-0.296	0.222
H7	-1.208	-0.819	-1.199
H8	-1.180	-1.786	0.300
H9	2.154	0.048	0.253
H10	1.431	-1.581	0.313
H11	1.341	-0.614	-1.183
H12	-0.840	1.796	0.132

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5257	1.5186	1.4256	1.1043	2.1737	2.1583	2.1782	2.1563	2.1652	2.1526	1.9581
C2	1.5257		2.5258	2.4341	2.1522	1.0985	1.0965	1.0973	3.4731	2.7890	2.7685	2.5985
C3	1.5186	2.5258		2.3527	2.1441	3.4802	2.7677	2.8026	1.0953	1.0965	1.0965	3.2059
O4	1.4256	2.4341	2.3527		2.0820	2.7168	2.6865	3.3868	2.5820	3.3214	2.6098	0.9695
H5	1.1043	2.1522	2.1441	2.0820		2.5017	3.0633	2.4975	2.4804	2.4847	3.0571	2.3290
H6	2.1737	1.0985	3.4802	2.7168	2.5017		1.7791	1.7750	4.3092	3.7973	3.7692	2.4655
H7	2.1583	1.0965	2.7677	2.6865	3.0633	1.7791		1.7842	3.7633	3.1355	2.5577	2.9572
H8	2.1782	1.0973	2.8026	3.3868	2.4975	1.7750	1.7842		3.8048	2.6182	3.1507	3.6021
H9	2.1563	3.4731	1.0953	2.5820	2.4804	4.3092	3.7633	3.8048		1.7835	1.7780	3.4695
H10	2.1652	2.7890	1.0965	3.3214	2.4847	3.7973	3.1355	2.6182	1.7835		1.7838	4.0741
H11	2.1526	2.7685	1.0965	2.6098	3.0571	3.7692	2.5577	3.1507	1.7780	1.7838		3.5071
H12	1.9581	2.5985	3.2059	0.9695	2.3290	2.4655	2.9572	3.6021	3.4695	4.0741	3.5071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.806	C1	C2	H7	109.705
C1	C2	H8	111.239	C1	C3	H9	110.104
C1	C3	H10	110.741	C1	C3	H11	109.750
C1	O4	H12	108.169	C2	C1	C3	112.133
C2	C1	O4	111.084	C2	C1	H5	108.784
C3	C1	O4	106.044	C3	C1	H5	108.631
O4	C1	H5	110.117	H6	C2	H7	108.297
H6	C2	H8	107.875	H7	C2	H8	108.838
H9	C3	H10	108.912	H9	C3	H11	108.425
H10	C3	H11	108.860

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

using model chemistry: CCSD=FULL/6-31G*

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: CCSD=FULL/6-31G*

States and conformations

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