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	hartrees
Energy at 0K	-193.804752
Energy at 298.15K	-193.813862
HF Energy	-193.131942
Nuclear repulsion energy	134.882848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3894	3666	10.40
2	A	3205	3017	26.98
3	A	3198	3010	57.39
4	A	3191	3004	1.42
5	A	3175	2989	35.06
6	A	3111	2929	11.85
7	A	3097	2915	21.28
8	A	3049	2871	61.10
9	A	1568	1476	3.93
10	A	1557	1466	2.69
11	A	1547	1457	0.83
12	A	1543	1452	0.64
13	A	1491	1404	18.22
14	A	1471	1385	15.25
15	A	1443	1359	0.15
16	A	1427	1344	16.45
17	A	1319	1241	57.88
18	A	1234	1162	31.06
19	A	1200	1130	14.49
20	A	1127	1061	25.29
21	A	1010	950	37.75
22	A	982	924	1.76
23	A	956	900	0.10
24	A	851	801	3.84
25	A	492	463	9.54
26	A	423	398	9.93
27	A	368	347	1.73
28	A	322	303	120.46
29	A	282	265	0.83
30	A	234	220	4.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.039	0.368
C2	-1.201	-0.772	-0.104
C3	1.321	-0.559	-0.088
O4	-0.037	1.365	-0.169
H5	-0.008	0.084	1.466
H6	-2.135	-0.310	0.223
H7	-1.206	-0.822	-1.194
H8	-1.170	-1.787	0.295
H9	2.151	0.060	0.250
H10	1.446	-1.567	0.311
H11	1.346	-0.606	-1.178
H12	-0.855	1.776	0.129

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5248	1.5191	1.4309	1.0988	2.1692	2.1539	2.1711	2.1529	2.1612	2.1485	1.9513
C2	1.5248		2.5303	2.4342	2.1492	1.0926	1.0908	1.0914	3.4711	2.7945	2.7689	2.5821
C3	1.5191	2.5303		2.3564	2.1435	3.4786	2.7709	2.8036	1.0894	1.0908	1.0909	3.1994
O4	1.4309	2.4342	2.3564		2.0772	2.7133	2.6838	3.3819	2.5812	3.3204	2.6112	0.9631
H5	1.0988	2.1492	2.1435	2.0772		2.4942	3.0545	2.4942	2.4780	2.4846	3.0496	2.3170
H6	2.1692	1.0926	3.4786	2.7133	2.4942		1.7701	1.7655	4.3016	3.7962	3.7644	2.4495
H7	2.1539	1.0908	2.7709	2.6838	3.0545	1.7701		1.7749	3.7592	3.1393	2.5619	2.9370
H8	2.1711	1.0914	2.8036	3.3819	2.4942	1.7655	1.7749		3.8006	2.6260	3.1461	3.5812
H9	2.1529	3.4711	1.0894	2.5812	2.4780	4.3016	3.7592	3.8006		1.7739	1.7689	3.4632
H10	2.1612	2.7945	1.0908	3.3204	2.4846	3.7962	3.1393	2.6260	1.7739		1.7743	4.0626
H11	2.1485	2.7689	1.0909	2.6112	3.0496	3.7644	2.5619	3.1461	1.7689	1.7743		3.4975
H12	1.9513	2.5821	3.1994	0.9631	2.3170	2.4495	2.9370	3.5812	3.4632	4.0626	3.4975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.863	C1	C2	H7	109.759
C1	C2	H8	111.083	C1	C3	H9	110.153
C1	C3	H10	110.730	C1	C3	H11	109.721
C1	O4	H12	107.580	C2	C1	C3	112.453
C2	C1	O4	110.847	C2	C1	H5	108.921
C3	C1	O4	105.988	C3	C1	H5	108.867
O4	C1	H5	109.703	H6	C2	H7	108.335
H6	C2	H8	107.878	H7	C2	H8	108.845
H9	C3	H10	108.908	H9	C3	H11	108.450
H10	C3	H11	108.830

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

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

States and conformations

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