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	hartrees
Energy at 0K	-154.561934
Energy at 298.15K
HF Energy	-154.073775
Nuclear repulsion energy	81.517310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3735	3583
2	A'	3139	3012
3	A'	3061	2936
4	A'	2998	2876
5	A'	1577	1512
6	A'	1544	1481
7	A'	1497	1436
8	A'	1440	1381
9	A'	1308	1255
10	A'	1133	1087
11	A'	1067	1024
12	A'	923	886
13	A'	420	403
14	A"	3149	3021
15	A"	3030	2907
16	A"	1528	1466
17	A"	1318	1264
18	A"	1208	1159
19	A"	835	801
20	A"	305	293
21	A"	257	246

Atom	x (Å)	y (Å)	z (Å)
C1	1.173	-0.404	0.000
C2	0.000	0.561	0.000
O3	-1.195	-0.227	0.000
H4	2.125	0.143	0.000
H5	1.133	-1.044	0.890
H6	1.133	-1.044	-0.890
H7	0.043	1.213	0.891
H8	0.043	1.213	-0.891
H9	-1.952	0.385	0.000

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5186	2.3740	1.0983	1.0968	1.0968	2.1640	2.1640	3.2221
C2	1.5186		1.4314	2.1657	2.1567	2.1567	1.1042	1.1042	1.9597
O3	2.3740	1.4314		3.3404	2.6225	2.6225	2.0969	2.0969	0.9729
H4	1.0983	2.1657	3.3404		1.7847	1.7847	2.5046	2.5046	4.0838
H5	1.0968	2.1567	2.6225	1.7847		1.7794	2.5062	3.0741	3.5137
H6	1.0968	2.1567	2.6225	1.7847	1.7794		3.0741	2.5062	3.5137
H7	2.1640	1.1042	2.0969	2.5046	2.5062	3.0741		1.7811	2.3358
H8	2.1640	1.1042	2.0969	2.5046	3.0741	2.5062	1.7811		2.3358
H9	3.2221	1.9597	0.9729	4.0838	3.5137	3.5137	2.3358	2.3358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.137	C1	C2	H8	110.190
C1	C2	H9	135.371	C2	C1	H5	110.056
C2	C1	H6	110.056	C2	C1	H7	28.614
C2	O3	H4	27.047	O3	C2	H8	110.919
O3	C2	H9	28.234	H5	C1	H6	108.422
H5	C1	H7	94.777	H6	C1	H7	138.669
H8	C2	H9	95.257

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: QCISD(T)/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(T)/6-31G*

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)