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	hartrees
Energy at 0K	-154.789939
Energy at 298.15K	-154.796666
HF Energy	-154.142846
Nuclear repulsion energy	82.341568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3885	3689	35.12	90.02	0.25	0.41
2	A'	3183	3022	19.52	51.98	0.75	0.86
3	A'	3105	2948	12.48	140.40	0.01	0.01
4	A'	3064	2909	58.25	123.20	0.08	0.15
5	A'	1561	1482	1.38	3.33	0.70	0.82
6	A'	1530	1452	2.68	10.82	0.75	0.86
7	A'	1478	1403	11.57	2.72	0.27	0.42
8	A'	1415	1343	2.94	0.09	0.49	0.66
9	A'	1286	1221	64.22	2.11	0.73	0.84
10	A'	1137	1079	36.53	5.09	0.58	0.73
11	A'	1064	1010	46.06	4.79	0.13	0.23
12	A'	925	878	12.03	4.86	0.27	0.42
13	A'	421	400	10.64	0.25	0.67	0.80
14	A"	3188	3026	21.54	38.50	0.75	0.86
15	A"	3090	2934	42.10	85.64	0.75	0.86
16	A"	1512	1436	5.88	7.07	0.75	0.86
17	A"	1328	1261	0.00	5.87	0.75	0.86
18	A"	1203	1142	3.65	0.83	0.75	0.86
19	A"	831	789	0.05	0.06	0.75	0.86
20	A"	300	285	53.60	1.54	0.75	0.86
21	A"	259	246	62.87	1.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.163	-0.398	0.000
C2	0.000	0.555	0.000
O3	-1.186	-0.224	0.000
H4	-1.934	0.376	0.000
H5	2.103	0.145	0.000
H6	1.126	-1.030	0.880
H7	1.126	-1.030	-0.880
H8	0.044	1.195	0.881
H9	0.044	1.195	-0.881

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5041	2.3561	3.1930	1.0851	1.0841	1.0841	2.1367	2.1367
C2	1.5041		1.4193	1.9425	2.1424	2.1347	2.1347	1.0893	1.0893
O3	2.3561	1.4193		0.9590	3.3096	2.6023	2.6023	2.0741	2.0741
H4	3.1930	1.9425	0.9590		4.0436	3.4812	3.4812	2.3150	2.3150
H5	1.0851	2.1424	3.3096	4.0436		1.7634	1.7634	2.4729	2.4729
H6	1.0841	2.1347	2.6023	3.4812	1.7634		1.7595	2.4743	3.0367
H7	1.0841	2.1347	2.6023	3.4812	1.7634	1.7595		3.0367	2.4743
H8	2.1367	1.0893	2.0741	2.3150	2.4729	2.4743	3.0367		1.7615
H9	2.1367	1.0893	2.0741	2.3150	2.4729	3.0367	2.4743	1.7615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.372	C1	C2	H8	109.923
C1	C2	H9	109.923	C2	C1	H5	110.629
C2	C1	H6	110.070	C2	C1	H7	110.070
C2	O3	H4	107.964	O3	C2	H8	110.860
O3	C2	H9	110.860	H5	C1	H6	108.769
H5	C1	H7	108.769	H6	C1	H7	108.484
H8	C2	H9	107.910

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)