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	hartrees
Energy at 0K	-154.656812
Energy at 298.15K	-154.663514
HF Energy	-154.098693
Nuclear repulsion energy	82.061535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3893	3677	30.17	82.81	0.29	0.44
2	A'	3215	3036	14.95	50.16	0.75	0.86
3	A'	3117	2944	9.33	95.08	0.01	0.02
4	A'	3059	2889	52.51	94.71	0.11	0.19
5	A'	1565	1478	1.77	3.78	0.68	0.81
6	A'	1533	1447	2.41	18.07	0.75	0.86
7	A'	1483	1400	12.88	3.06	0.54	0.70
8	A'	1418	1340	1.86	0.62	0.73	0.85
9	A'	1293	1222	74.44	4.39	0.74	0.85
10	A'	1143	1079	32.10	5.00	0.52	0.69
11	A'	1062	1003	39.55	3.69	0.14	0.24
12	A'	925	874	8.63	5.43	0.30	0.46
13	A'	416	393	10.78	0.22	0.66	0.80
14	A"	3220	3041	16.00	39.35	0.75	0.86
15	A"	3104	2931	48.09	72.04	0.75	0.86
16	A"	1514	1430	4.60	13.19	0.75	0.86
17	A"	1319	1246	0.01	9.94	0.75	0.86
18	A"	1202	1136	4.45	1.96	0.75	0.86
19	A"	827	781	0.08	0.07	0.75	0.86
20	A"	301	285	86.62	2.63	0.75	0.86
21	A"	251	237	31.01	0.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.164	-0.410	0.000
C2	0.000	0.559	0.000
O3	-1.188	-0.217	0.000
H4	-1.930	0.392	0.000
H5	2.114	0.125	0.000
H6	1.119	-1.046	0.884
H7	1.119	-1.046	-0.884
H8	0.050	1.206	0.885
H9	0.050	1.206	-0.885

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5145	2.3595	3.1955	1.0907	1.0900	1.0900	2.1529	2.1529
C2	1.5145		1.4191	1.9369	2.1579	2.1477	2.1477	1.0971	1.0971
O3	2.3595	1.4191		0.9596	3.3195	2.6062	2.6062	2.0833	2.0833
H4	3.1955	1.9369	0.9596		4.0523	3.4851	3.4851	2.3161	2.3161
H5	1.0907	2.1579	3.3195	4.0523		1.7730	1.7730	2.4922	2.4922
H6	1.0900	2.1477	2.6062	3.4851	1.7730		1.7673	2.4937	3.0570
H7	1.0900	2.1477	2.6062	3.4851	1.7730	1.7673		3.0570	2.4937
H8	2.1529	1.0971	2.0833	2.3161	2.4922	2.4937	3.0570		1.7694
H9	2.1529	1.0971	2.0833	2.3161	2.4922	3.0570	2.4937	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.044	C1	C2	H8	110.025
C1	C2	H9	110.025	C2	C1	H5	110.808
C2	C1	H6	110.031	C2	C1	H7	110.031
C2	O3	H4	107.463	O3	C2	H8	111.137
O3	C2	H9	111.137	H5	C1	H6	108.790
H5	C1	H7	108.790	H6	C1	H7	108.335
H8	C2	H9	107.491

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2/6-31G(2df,p)

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 CH3CH2OH (Ethanol)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)