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	hartrees
Energy at 0K	-154.803873
Energy at 298.15K	-154.810539
HF Energy	-154.155405
Nuclear repulsion energy	82.105692

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'	3866	3671	38.58	98.00	0.18	0.31
2	A'	3178	3018	17.42	48.33	0.75	0.86
3	A'	3083	2928	12.20	166.54	0.00	0.01
4	A'	3048	2894	55.30	138.95	0.06	0.11
5	A'	1544	1466	1.57	2.32	0.75	0.85
6	A'	1518	1441	2.71	5.87	0.75	0.86
7	A'	1457	1384	12.58	1.52	0.37	0.54
8	A'	1405	1335	1.78	0.01	0.51	0.68
9	A'	1271	1207	59.85	0.79	0.74	0.85
10	A'	1118	1062	39.38	5.95	0.41	0.58
11	A'	1055	1002	48.64	5.67	0.12	0.22
12	A'	914	868	13.68	6.04	0.14	0.25
13	A'	417	396	10.95	0.32	0.58	0.73
14	A"	3183	3022	19.61	33.69	0.75	0.86
15	A"	3093	2937	33.14	81.55	0.75	0.86
16	A"	1500	1424	6.24	4.15	0.75	0.86
17	A"	1312	1246	0.01	3.06	0.75	0.86
18	A"	1188	1129	2.85	0.38	0.75	0.86
19	A"	823	782	0.18	0.14	0.75	0.86
20	A"	290	275	70.88	0.84	0.75	0.86
21	A"	240	227	44.22	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.168	-0.396	0.000
C2	0.000	0.557	0.000
O3	-1.189	-0.227	0.000
H4	-1.944	0.365	0.000
H5	2.107	0.153	0.000
H6	1.135	-1.031	0.882
H7	1.135	-1.031	-0.882
H8	0.035	1.198	0.884
H9	0.035	1.198	-0.884

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5079	2.3630	3.2038	1.0877	1.0869	1.0869	2.1465	2.1465
C2	1.5079		1.4244	1.9534	2.1452	2.1416	2.1416	1.0922	1.0922
O3	2.3630	1.4244		0.9595	3.3176	2.6118	2.6118	2.0760	2.0760
H4	3.2038	1.9534	0.9595		4.0563	3.4931	3.4931	2.3218	2.3218
H5	1.0877	2.1452	3.3176	4.0563		1.7677	1.7677	2.4832	2.4832
H6	1.0869	2.1416	2.6118	3.4931	1.7677		1.7639	2.4853	3.0487
H7	1.0869	2.1416	2.6118	3.4931	1.7677	1.7639		3.0487	2.4853
H8	2.1465	1.0922	2.0760	2.3218	2.4832	2.4853	3.0487		1.7675
H9	2.1465	1.0922	2.0760	2.3218	2.4832	3.0487	2.4853	1.7675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.354	C1	C2	H8	110.266
C1	C2	H9	110.266	C2	C1	H5	110.430
C2	C1	H6	110.189	C2	C1	H7	110.189
C2	O3	H4	108.478	O3	C2	H8	110.469
O3	C2	H9	110.469	H5	C1	H6	108.756
H5	C1	H7	108.756	H6	C1	H7	108.471
H8	C2	H9	108.029

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)