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	hartrees
Energy at 0K	-193.776162
Energy at 298.15K	-193.785298
HF Energy	-193.131929
Nuclear repulsion energy	135.245509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3882	3627	14.54
2	A	3246	3033	19.55
3	A	3239	3026	41.31
4	A	3233	3021	2.28
5	A	3216	3005	27.98
6	A	3137	2931	10.36
7	A	3123	2918	16.48
8	A	3076	2874	58.96
9	A	1572	1469	4.98
10	A	1560	1458	3.42
11	A	1550	1448	0.64
12	A	1545	1444	0.70
13	A	1486	1388	19.37
14	A	1466	1370	17.58
15	A	1439	1344	0.23
16	A	1424	1331	14.96
17	A	1313	1227	49.80
18	A	1234	1153	31.36
19	A	1199	1121	18.64
20	A	1128	1054	27.65
21	A	1009	943	37.38
22	A	983	919	2.91
23	A	958	895	0.21
24	A	856	800	4.18
25	A	493	460	9.09
26	A	424	396	10.00
27	A	370	346	2.01
28	A	327	306	120.37
29	A	289	270	1.06
30	A	239	223	4.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.038	0.369
C2	-1.198	-0.766	-0.105
C3	1.313	-0.562	-0.089
O4	-0.030	1.363	-0.167
H5	-0.008	0.080	1.465
H6	-2.130	-0.305	0.223
H7	-1.202	-0.811	-1.192
H8	-1.171	-1.780	0.290
H9	2.143	0.054	0.247
H10	1.436	-1.568	0.308
H11	1.334	-0.607	-1.176
H12	-0.854	1.771	0.124

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5191	1.5133	1.4299	1.0969	2.1629	2.1450	2.1647	2.1459	2.1543	2.1398	1.9479
C2	1.5191		2.5194	2.4291	2.1436	1.0899	1.0881	1.0887	3.4584	2.7843	2.7543	2.5700
C3	1.5133	2.5194		2.3485	2.1376	3.4663	2.7571	2.7926	1.0868	1.0881	1.0881	3.1910
O4	1.4299	2.4291	2.3485		2.0762	2.7096	2.6733	3.3752	2.5711	3.3113	2.5998	0.9644
H5	1.0969	2.1436	2.1376	2.0762		2.4883	3.0455	2.4890	2.4720	2.4776	3.0405	2.3181
H6	2.1629	1.0899	3.4663	2.7096	2.4883		1.7662	1.7609	4.2881	3.7839	3.7481	2.4381
H7	2.1450	1.0881	2.7571	2.6733	3.0455	1.7662		1.7708	3.7424	3.1272	2.5442	2.9179
H8	2.1647	1.0887	2.7926	3.3752	2.4890	1.7609	1.7708		3.7882	2.6160	3.1308	3.5691
H9	2.1459	3.4584	1.0868	2.5711	2.4720	4.2881	3.7424	3.7882		1.7698	1.7649	3.4567
H10	2.1543	2.7843	1.0881	3.3113	2.4776	3.7839	3.1272	2.6160	1.7698		1.7703	4.0527
H11	2.1398	2.7543	1.0881	2.5998	3.0405	3.7481	2.5442	3.1308	1.7649	1.7703		3.4830
H12	1.9479	2.5700	3.1910	0.9644	2.3181	2.4381	2.9179	3.5691	3.4567	4.0527	3.4830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.922	C1	C2	H7	109.607
C1	C2	H8	111.136	C1	C3	H9	110.158
C1	C3	H10	110.754	C1	C3	H11	109.598
C1	O4	H12	107.292	C2	C1	C3	112.365
C2	C1	O4	110.876	C2	C1	H5	108.987
C3	C1	O4	105.829	C3	C1	H5	108.917
O4	C1	H5	109.805	H6	C2	H7	108.371
H6	C2	H8	107.855	H7	C2	H8	108.875
H9	C3	H10	108.924	H9	C3	H11	108.481
H10	C3	H11	108.880

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

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

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