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	hartrees
Energy at 0K	-154.774076
Energy at 298.15K	-154.780761
HF Energy	-154.142800
Nuclear repulsion energy	81.993586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3894	3721	27.57
2	A'	3137	2998	27.78
3	A'	3061	2925	14.60
4	A'	3019	2885	60.92
5	A'	1553	1484	1.36
6	A'	1522	1454	2.32
7	A'	1485	1419	10.71
8	A'	1419	1356	1.74
9	A'	1298	1240	74.62
10	A'	1138	1087	33.29
11	A'	1063	1015	43.87
12	A'	920	879	9.82
13	A'	419	400	10.21
14	A"	3142	3002	30.95
15	A"	3050	2914	47.42
16	A"	1503	1436	4.80
17	A"	1320	1262	0.00
18	A"	1200	1147	3.95
19	A"	827	790	0.00
20	A"	287	275	76.20
21	A"	243	232	39.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.167	-0.411	0.000
C2	0.000	0.554	0.000
O3	-1.193	-0.211	0.000
H4	-1.938	0.389	0.000
H5	2.112	0.132	0.000
H6	1.129	-1.047	0.884
H7	1.129	-1.047	-0.884
H8	0.056	1.199	0.884
H9	0.056	1.199	-0.884

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5140	2.3677	3.2058	1.0903	1.0896	1.0896	2.1465	2.1465
C2	1.5140		1.4172	1.9451	2.1537	2.1493	2.1493	1.0954	1.0954
O3	2.3677	1.4172		0.9565	3.3226	2.6210	2.6210	2.0805	2.0805
H4	3.2058	1.9451	0.9565		4.0581	3.4996	3.4996	2.3265	2.3265
H5	1.0903	2.1537	3.3226	4.0581		1.7715	1.7715	2.4796	2.4796
H6	1.0896	2.1493	2.6210	3.4996	1.7715		1.7675	2.4896	3.0531
H7	1.0896	2.1493	2.6210	3.4996	1.7715	1.7675		3.0531	2.4896
H8	2.1465	1.0954	2.0805	2.3265	2.4796	2.4896	3.0531		1.7673
H9	2.1465	1.0954	2.0805	2.3265	2.4796	3.0531	2.4896	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.712	C1	C2	H8	109.650
C1	C2	H9	109.650	C2	C1	H5	110.529
C2	C1	H6	110.216	C2	C1	H7	110.216
C2	O3	H4	108.495	O3	C2	H8	111.142
O3	C2	H9	111.142	H5	C1	H6	108.714
H5	C1	H7	108.714	H6	C1	H7	108.398
H8	C2	H9	107.542

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)