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	hartrees
Energy at 0K	-193.730505
Energy at 298.15K	-193.739609
HF Energy	-193.113831
Nuclear repulsion energy	134.666903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3781	3579	11.66
2	A	3175	3005	22.18
3	A	3168	2999	48.04
4	A	3162	2993	1.36
5	A	3145	2977	30.21
6	A	3084	2919	10.09
7	A	3070	2906	18.43
8	A	3024	2862	55.78
9	A	1561	1478	6.39
10	A	1552	1469	3.77
11	A	1541	1459	1.15
12	A	1537	1454	0.98
13	A	1493	1413	23.81
14	A	1469	1390	19.64
15	A	1444	1366	1.18
16	A	1427	1350	15.63
17	A	1326	1255	63.45
18	A	1237	1170	33.49
19	A	1205	1141	14.94
20	A	1131	1071	25.62
21	A	1012	958	31.76
22	A	984	931	1.35
23	A	956	905	0.33
24	A	855	809	3.20
25	A	495	469	9.36
26	A	425	402	9.86
27	A	371	351	1.61
28	A	324	307	128.41
29	A	281	266	0.98
30	A	234	222	4.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.044	0.366
C2	-1.205	-0.767	-0.104
C3	1.316	-0.567	-0.088
O4	-0.028	1.365	-0.170
H5	-0.007	0.083	1.470
H6	-2.143	-0.297	0.223
H7	-1.210	-0.821	-1.199
H8	-1.180	-1.787	0.301
H9	2.155	0.049	0.253
H10	1.433	-1.581	0.314
H11	1.344	-0.615	-1.183
H12	-0.841	1.797	0.132

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5271	1.5202	1.4259	1.1042	2.1750	2.1595	2.1794	2.1575	2.1667	2.1540	1.9584
C2	1.5271		2.5291	2.4359	2.1530	1.0985	1.0965	1.0972	3.4761	2.7921	2.7723	2.6003
C3	1.5202	2.5291		2.3551	2.1447	3.4833	2.7715	2.8053	1.0954	1.0965	1.0965	3.2078
O4	1.4259	2.4359	2.3551		2.0813	2.7182	2.6891	3.3883	2.5839	3.3234	2.6129	0.9689
H5	1.1042	2.1530	2.1447	2.0813		2.5024	3.0640	2.4983	2.4807	2.4855	3.0577	2.3284
H6	2.1750	1.0985	3.4833	2.7182	2.5024		1.7791	1.7750	4.3118	3.8002	3.7730	2.4675
H7	2.1595	1.0965	2.7715	2.6891	3.0640	1.7791		1.7842	3.7669	3.1391	2.5626	2.9595
H8	2.1794	1.0972	2.8053	3.3883	2.4983	1.7750	1.7842		3.8073	2.6213	3.1538	3.6035
H9	2.1575	3.4761	1.0954	2.5839	2.4807	4.3118	3.7669	3.8073		1.7835	1.7780	3.4706
H10	2.1667	2.7921	1.0965	3.3234	2.4855	3.8002	3.1391	2.6213	1.7835		1.7839	4.0757
H11	2.1540	2.7723	1.0965	2.6129	3.0577	3.7730	2.5626	3.1538	1.7780	1.7839		3.5099
H12	1.9584	2.6003	3.2078	0.9689	2.3284	2.4675	2.9595	3.6035	3.4706	4.0757	3.5099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.807	C1	C2	H7	109.704
C1	C2	H8	111.235	C1	C3	H9	110.091
C1	C3	H10	110.750	C1	C3	H11	109.751
C1	O4	H12	108.215	C2	C1	C3	112.190
C2	C1	O4	111.114	C2	C1	H5	108.753
C3	C1	O4	106.103	C3	C1	H5	108.581
O4	C1	H5	110.048	H6	C2	H7	108.294
H6	C2	H8	107.879	H7	C2	H8	108.841
H9	C3	H10	108.911	H9	C3	H11	108.422
H10	C3	H11	108.867

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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