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	hartrees
Energy at 0K	-154.805830
Energy at 298.15K	-154.812507
HF Energy	-154.149286
Nuclear repulsion energy	82.177853

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'	3867	3867	36.18	92.65	0.24	0.38
2	A'	3180	3180	18.10	50.93	0.75	0.86
3	A'	3089	3089	12.08	147.37	0.01	0.01
4	A'	3049	3049	57.00	125.25	0.08	0.15
5	A'	1546	1546	1.33	3.21	0.72	0.83
6	A'	1518	1518	2.45	9.73	0.75	0.85
7	A'	1470	1470	11.69	3.31	0.34	0.51
8	A'	1411	1411	2.38	0.07	0.40	0.57
9	A'	1279	1279	63.63	1.91	0.71	0.83
10	A'	1128	1128	38.53	5.43	0.54	0.70
11	A'	1061	1061	45.87	4.98	0.14	0.24
12	A'	918	918	12.67	5.13	0.26	0.41
13	A'	419	419	10.80	0.28	0.66	0.80
14	A"	3185	3185	20.35	37.23	0.75	0.86
15	A"	3090	3090	40.46	84.64	0.75	0.86
16	A"	1499	1499	5.76	7.21	0.75	0.86
17	A"	1321	1321	0.02	6.61	0.75	0.86
18	A"	1193	1193	3.42	0.81	0.75	0.86
19	A"	827	827	0.05	0.08	0.75	0.86
20	A"	293	293	78.58	1.77	0.75	0.86
21	A"	242	242	39.91	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.167	-0.398	0.000
C2	0.000	0.556	0.000
O3	-1.189	-0.225	0.000
H4	-1.938	0.375	0.000
H5	2.106	0.149	0.000
H6	1.132	-1.032	0.881
H7	1.132	-1.032	-0.881
H8	0.040	1.197	0.882
H9	0.040	1.197	-0.882

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5076	2.3627	3.2002	1.0863	1.0854	1.0854	2.1430	2.1430
C2	1.5076		1.4224	1.9467	2.1446	2.1396	2.1396	1.0908	1.0908
O3	2.3627	1.4224		0.9593	3.3159	2.6107	2.6107	2.0757	2.0757
H4	3.2002	1.9467	0.9593		4.0502	3.4901	3.4901	2.3166	2.3166
H5	1.0863	2.1446	3.3159	4.0502		1.7654	1.7654	2.4785	2.4785
H6	1.0854	2.1396	2.6107	3.4901	1.7654		1.7617	2.4816	3.0439
H7	1.0854	2.1396	2.6107	3.4901	1.7654	1.7617		3.0439	2.4816
H8	2.1430	1.0908	2.0757	2.3166	2.4785	2.4816	3.0439		1.7637
H9	2.1430	1.0908	2.0757	2.3166	2.4785	3.0439	2.4816	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.454	C1	C2	H8	110.089
C1	C2	H9	110.089	C2	C1	H5	110.492
C2	C1	H6	110.141	C2	C1	H7	110.141
C2	O3	H4	108.064	O3	C2	H8	110.666
O3	C2	H9	110.666	H5	C1	H6	108.764
H5	C1	H7	108.764	H6	C1	H7	108.489
H8	C2	H9	107.889

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)