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	hartrees
Energy at 0K	-37.082278
Energy at 298.15K	-37.091151
HF Energy	-36.725925
Nuclear repulsion energy	77.104890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3670	3546	6.51
2	A	3158	3051	58.02
3	A	3146	3040	94.18
4	A	3140	3034	12.24
5	A	3122	3017	56.19
6	A	3044	2941	49.07
7	A	3038	2936	48.25
8	A	3024	2922	35.67
9	A	1534	1482	10.89
10	A	1523	1472	4.98
11	A	1515	1464	0.38
12	A	1510	1459	1.15
13	A	1459	1410	12.06
14	A	1445	1396	21.31
15	A	1419	1372	7.36
16	A	1374	1328	13.29
17	A	1277	1234	30.28
18	A	1213	1172	33.54
19	A	1148	1109	23.99
20	A	1099	1062	29.18
21	A	977	944	0.02
22	A	955	923	0.96
23	A	940	908	42.15
24	A	799	772	11.18
25	A	465	449	10.30
26	A	393	380	12.20
27	A	351	339	6.06
28	A	299	289	164.06
29	A	255	247	7.45
30	A	200	193	9.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.017	0.388
C2	-1.271	-0.745	-0.111
C3	1.329	-0.631	-0.094
O4	0.029	1.415	-0.172
H5	-0.011	0.083	1.502
H6	-2.202	-0.236	0.226
H7	-1.271	-0.787	-1.221
H8	-1.283	-1.784	0.288
H9	2.193	-0.034	0.262
H10	1.416	-1.668	0.297
H11	1.349	-0.659	-1.204
H12	-0.766	1.921	0.128

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5636	1.5546	1.5065	1.1159	2.2217	2.2022	2.2132	2.1973	2.2028	2.1931	2.0688
C2	1.5636		2.6025	2.5223	2.2079	1.1127	1.1106	1.1128	3.5560	2.8709	2.8404	2.7241
C3	1.5546	2.6025		2.4246	2.2026	3.5665	2.8379	2.8804	1.1088	1.1119	1.1102	3.3085
O4	1.5065	2.5223	2.4246		2.1392	2.8037	2.7644	3.4882	2.6401	3.4128	2.6659	0.9890
H5	1.1159	2.2079	2.2026	2.1392		2.5546	3.1237	2.5647	2.5316	2.5603	3.1178	2.4152
H6	2.2217	1.1127	3.5665	2.8037	2.5546		1.8063	1.8011	4.3992	3.8916	3.8509	2.5929
H7	2.2022	1.1106	2.8379	2.7644	3.1237	1.8063		1.8082	3.8427	3.2100	2.6236	3.0674
H8	2.2132	1.1128	2.8804	3.4882	2.5647	1.8011	1.8082		3.8915	2.7021	3.2278	3.7443
H9	2.1973	3.5560	1.1088	2.6401	2.5316	4.3992	3.8427	3.8915		1.8087	1.8029	3.5490
H10	2.2028	2.8709	1.1119	3.4128	2.5603	3.8916	3.2100	2.7021	1.8087		1.8097	4.2035
H11	2.1931	2.8404	1.1102	2.6659	3.1178	3.8509	2.6236	3.2278	1.8029	1.8097		3.5918
H12	2.0688	2.7241	3.3085	0.9890	2.4152	2.5929	3.0674	3.7443	3.5490	4.2035	3.5918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.098	C1	C2	H7	109.709
C1	C2	H8	110.432	C1	C3	H9	110.049
C1	C3	H10	110.295	C1	C3	H11	109.640
C1	O4	H12	110.268	C2	C1	C3	113.145
C2	C1	O4	110.467	C2	C1	H5	109.842
C3	C1	O4	104.748	C3	C1	H5	110.045
O4	C1	H5	108.400	H6	C2	H7	108.663
H6	C2	H8	108.048	H7	C2	H8	108.831
H9	C3	H10	109.079	H9	C3	H11	108.682
H10	C3	H11	109.063

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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