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	hartrees
Energy at 0K	-154.597171
Energy at 298.15K	-154.603924
HF Energy	-154.089455
Nuclear repulsion energy	81.981644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3957	3682	17.96
2	A'	3234	3009	27.77
3	A'	3146	2928	13.64
4	A'	3089	2875	62.14
5	A'	1602	1491	2.75
6	A'	1567	1458	2.43
7	A'	1524	1418	15.81
8	A'	1460	1359	0.10
9	A'	1320	1228	90.59
10	A'	1162	1081	23.88
11	A'	1084	1008	45.67
12	A'	942	876	9.05
13	A'	426	397	11.42
14	A"	3242	3017	29.51
15	A"	3127	2909	66.29
16	A"	1551	1443	3.34
17	A"	1344	1250	0.01
18	A"	1229	1144	5.31
19	A"	844	786	0.10
20	A"	306	285	103.65
21	A"	262	244	32.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.167	-0.410	0.000
C2	0.000	0.556	0.000
O3	-1.192	-0.214	0.000
H4	-1.940	0.387	0.000
H5	2.111	0.132	0.000
H6	1.126	-1.045	0.883
H7	1.126	-1.045	-0.883
H8	0.058	1.203	0.882
H9	0.058	1.203	-0.882

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5147	2.3675	3.2072	1.0889	1.0878	1.0878	2.1470	2.1470
C2	1.5147		1.4192	1.9471	2.1537	2.1466	2.1466	1.0956	1.0956
O3	2.3675	1.4192		0.9588	3.3219	2.6160	2.6160	2.0851	2.0851
H4	3.2072	1.9471	0.9588		4.0593	3.4966	3.4966	2.3311	2.3311
H5	1.0889	2.1537	3.3219	4.0593		1.7703	1.7703	2.4786	2.4786
H6	1.0878	2.1466	2.6160	3.4966	1.7703		1.7651	2.4884	3.0506
H7	1.0878	2.1466	2.6160	3.4966	1.7703	1.7651		3.0506	2.4884
H8	2.1470	1.0956	2.0851	2.3311	2.4786	2.4884	3.0506		1.7643
H9	2.1470	1.0956	2.0851	2.3311	2.4786	3.0506	2.4884	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.553	C1	C2	H8	109.633
C1	C2	H9	109.633	C2	C1	H5	110.558
C2	C1	H6	110.053	C2	C1	H7	110.053
C2	O3	H4	108.375	O3	C2	H8	111.378
O3	C2	H9	111.378	H5	C1	H6	108.840
H5	C1	H7	108.840	H6	C1	H7	108.448
H8	C2	H9	107.264

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)