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	hartrees
Energy at 0K	-154.669581
Energy at 298.15K	-154.676259
HF Energy	-154.125047
Nuclear repulsion energy	81.566592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3830	3830	32.93
2	A'	3163	3163	20.05
3	A'	3057	3057	13.15
4	A'	3021	3021	60.71
5	A'	1511	1511	0.89
6	A'	1487	1487	2.39
7	A'	1446	1446	12.89
8	A'	1388	1388	1.04
9	A'	1269	1269	62.68
10	A'	1108	1108	50.31
11	A'	1059	1059	31.67
12	A'	910	910	16.53
13	A'	419	419	10.34
14	A"	3167	3167	23.15
15	A"	3074	3074	36.59
16	A"	1473	1473	5.31
17	A"	1292	1292	0.01
18	A"	1164	1164	3.04
19	A"	805	805	0.03
20	A"	300	300	85.03
21	A"	240	240	29.56

Atom	x (Å)	y (Å)	z (Å)
C1	1.170	-0.398	0.000
C2	0.000	0.563	0.000
O3	-1.192	-0.231	0.000
H4	-1.951	0.370	0.000
H5	2.125	0.150	0.000
H6	1.132	-1.042	0.892
H7	1.132	-1.042	-0.892
H8	0.036	1.212	0.895
H9	0.036	1.212	-0.895

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5140	2.3678	3.2147	1.1011	1.1013	1.1013	2.1630	2.1630
C2	1.5140		1.4315	1.9609	2.1651	2.1567	2.1567	1.1064	1.1064
O3	2.3678	1.4315		0.9685	3.3388	2.6174	2.6174	2.0952	2.0952
H4	3.2147	1.9609	0.9685		4.0828	3.5062	3.5062	2.3369	2.3369
H5	1.1011	2.1651	3.3388	4.0828		1.7904	1.7904	2.5087	2.5087
H6	1.1013	2.1567	2.6174	3.5062	1.7904		1.7849	2.5057	3.0781
H7	1.1013	2.1567	2.6174	3.5062	1.7904	1.7849		3.0781	2.5057
H8	2.1630	1.1064	2.0952	2.3369	2.5087	2.5057	3.0781		1.7906
H9	2.1630	1.1064	2.0952	2.3369	2.5087	3.0781	2.5057	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.967	C1	C2	H8	110.294
C1	C2	H9	110.294	C2	C1	H5	110.784
C2	C1	H6	110.103	C2	C1	H7	110.103
C2	O3	H4	108.022	O3	C2	H8	110.634
O3	C2	H9	110.634	H5	C1	H6	108.765
H5	C1	H7	108.765	H6	C1	H7	108.263
H8	C2	H9	108.033

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2=FULL/Sadlej_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: MP2=FULL/Sadlej_pVTZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)