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	hartrees
Energy at 0K	-154.760068
Energy at 298.15K	-154.766754
HF Energy	-154.656023
Nuclear repulsion energy	80.914806

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'	3657	3657	3.29	134.00	0.31	0.47
2	A'	3156	3156	30.62	58.45	0.74	0.85
3	A'	3076	3076	15.74	119.60	0.02	0.03
4	A'	3028	3028	58.74	103.74	0.14	0.25
5	A'	1589	1589	1.29	6.07	0.68	0.81
6	A'	1565	1565	5.89	29.13	0.75	0.86
7	A'	1485	1485	16.78	6.55	0.69	0.82
8	A'	1469	1469	0.52	1.21	0.31	0.48
9	A'	1285	1285	62.98	10.43	0.69	0.82
10	A'	1116	1116	1.19	6.68	0.45	0.63
11	A'	1041	1041	66.69	3.03	0.35	0.52
12	A'	896	896	24.96	8.37	0.33	0.50
13	A'	416	416	15.60	0.41	0.68	0.81
14	A"	3170	3170	34.55	44.23	0.75	0.86
15	A"	3065	3065	66.85	90.35	0.75	0.86
16	A"	1548	1548	5.52	20.06	0.75	0.86
17	A"	1329	1329	0.70	15.73	0.75	0.86
18	A"	1200	1200	4.47	7.19	0.75	0.86
19	A"	857	857	0.24	0.00	0.75	0.86
20	A"	303	303	139.50	7.28	0.75	0.86
21	A"	244	244	37.68	1.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.189	-0.374	0.000
C2	0.000	0.574	0.000
O3	-1.202	-0.262	0.000
H4	-2.005	0.295	0.000
H5	2.130	0.187	0.000
H6	1.160	-1.014	0.886
H7	1.160	-1.014	-0.886
H8	0.019	1.219	0.889
H9	0.019	1.219	-0.889

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5206	2.3942	3.2634	1.0951	1.0934	1.0934	2.1674	2.1674
C2	1.5206		1.4640	2.0242	2.1644	2.1566	2.1566	1.0989	1.0989
O3	2.3942	1.4640		0.9766	3.3621	2.6330	2.6330	2.1157	2.1157
H4	3.2634	2.0242	0.9766		4.1359	3.5377	3.5377	2.3963	2.3963
H5	1.0951	2.1644	3.3621	4.1359		1.7797	1.7797	2.5118	2.5118
H6	1.0934	2.1566	2.6330	3.5377	1.7797		1.7725	2.5076	3.0724
H7	1.0934	2.1566	2.6330	3.5377	1.7797	1.7725		3.0724	2.5076
H8	2.1674	1.0989	2.1157	2.3963	2.5118	2.5076	3.0724		1.7779
H9	2.1674	1.0989	2.1157	2.3963	2.5118	3.0724	2.5076	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.660	C1	C2	H8	110.638
C1	C2	H9	110.638	C2	C1	H5	110.623
C2	C1	H6	110.113	C2	C1	H7	110.113
C2	O3	H4	110.470	O3	C2	H8	110.470
O3	C2	H9	110.470	H5	C1	H6	108.819
H5	C1	H7	108.819	H6	C1	H7	108.300
H8	C2	H9	107.985

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)