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	hartrees
Energy at 0K	-154.551563
Energy at 298.15K	-154.558294
HF Energy	-154.074094
Nuclear repulsion energy	81.612857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3764	3585	13.71
2	A'	3153	3003	28.62
3	A'	3075	2929	14.05
4	A'	3017	2873	62.06
5	A'	1586	1510	2.28
6	A'	1551	1477	3.14
7	A'	1508	1436	14.61
8	A'	1449	1380	0.86
9	A'	1317	1254	91.35
10	A'	1144	1089	21.99
11	A'	1076	1025	46.15
12	A'	931	887	9.84
13	A'	425	405	12.25
14	A"	3162	3012	29.99
15	A"	3048	2903	66.58
16	A"	1534	1461	4.37
17	A"	1327	1263	0.10
18	A"	1217	1159	4.94
19	A"	841	800	0.01
20	A"	313	298	114.23
21	A"	260	248	26.17

Atom	x (Å)	y (Å)	z (Å)
C1	1.170	-0.409	0.000
C2	0.000	0.558	0.000
O3	-1.194	-0.217	0.000
H4	-1.952	0.386	0.000
H5	2.122	0.136	0.000
H6	1.128	-1.049	0.889
H7	1.128	-1.049	-0.889
H8	0.055	1.210	0.889
H9	0.055	1.210	-0.889

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5181	2.3718	3.2218	1.0972	1.0960	1.0960	2.1572	2.1572
C2	1.5181		1.4241	1.9601	2.1636	2.1558	2.1558	1.1035	1.1035
O3	2.3718	1.4241		0.9687	3.3350	2.6225	2.6225	2.0947	2.0947
H4	3.2218	1.9601	0.9687		4.0821	3.5130	3.5130	2.3452	2.3452
H5	1.0972	2.1636	3.3350	4.0821		1.7836	1.7836	2.4931	2.4931
H6	1.0960	2.1558	2.6225	3.5130	1.7836		1.7779	2.5008	3.0684
H7	1.0960	2.1558	2.6225	3.5130	1.7836	1.7779		3.0684	2.5008
H8	2.1572	1.1035	2.0947	2.3452	2.4931	2.5008	3.0684		1.7781
H9	2.1572	1.1035	2.0947	2.3452	2.4931	3.0684	2.5008	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.395	C1	C2	H8	109.741
C1	C2	H9	109.741	C2	C1	H5	110.614
C2	C1	H6	110.069	C2	C1	H7	110.069
C2	O3	H4	108.498	O3	C2	H8	111.308
O3	C2	H9	111.308	H5	C1	H6	108.819
H5	C1	H7	108.819	H6	C1	H7	108.399
H8	C2	H9	107.353

All results from a given calculation for CH₃CH₂OH (Ethanol)

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 CH3CH2OH (Ethanol)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)