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	hartrees
Energy at 0K	-154.601143
Energy at 298.15K	-154.607886
HF Energy	-154.089328
Nuclear repulsion energy	81.915903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3931	3685	16.46
2	A'	3214	3014	28.79
3	A'	3127	2932	14.17
4	A'	3071	2879	62.65
5	A'	1599	1499	2.88
6	A'	1564	1466	2.34
7	A'	1521	1426	15.55
8	A'	1459	1368	0.06
9	A'	1317	1235	89.15
10	A'	1158	1086	22.73
11	A'	1081	1013	46.43
12	A'	939	880	9.22
13	A'	425	399	11.33
14	A"	3223	3022	30.57
15	A"	3108	2915	66.63
16	A"	1547	1451	3.15
17	A"	1340	1257	0.01
18	A"	1226	1150	5.18
19	A"	843	791	0.14
20	A"	305	286	102.27
21	A"	261	245	33.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.170	-0.406	0.000
C2	0.000	0.557	0.000
O3	-1.193	-0.219	0.000
H4	-1.941	0.386	0.000
H5	2.115	0.137	0.000
H6	1.130	-1.042	0.883
H7	1.130	-1.042	-0.883
H8	0.047	1.204	0.883
H9	0.047	1.204	-0.883

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5155	2.3708	3.2097	1.0901	1.0889	1.0889	2.1532	2.1532
C2	1.5155		1.4235	1.9481	2.1561	2.1481	2.1481	1.0961	1.0961
O3	2.3708	1.4235		0.9611	3.3273	2.6187	2.6187	2.0840	2.0840
H4	3.2097	1.9481	0.9611		4.0630	3.4998	3.4998	2.3235	2.3235
H5	1.0901	2.1561	3.3273	4.0630		1.7718	1.7718	2.4893	2.4893
H6	1.0889	2.1481	2.6187	3.4998	1.7718		1.7666	2.4939	3.0563
H7	1.0889	2.1481	2.6187	3.4998	1.7718	1.7666		3.0563	2.4939
H8	2.1532	1.0961	2.0840	2.3235	2.4893	2.4939	3.0563		1.7668
H9	2.1532	1.0961	2.0840	2.3235	2.4893	3.0563	2.4939	1.7668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.498	C1	C2	H8	110.033
C1	C2	H9	110.033	C2	C1	H5	110.620
C2	C1	H6	110.056	C2	C1	H7	110.056
C2	O3	H4	107.987	O3	C2	H8	110.943
O3	C2	H9	110.943	H5	C1	H6	108.814
H5	C1	H7	108.814	H6	C1	H7	108.431
H8	C2	H9	107.406

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)