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	hartrees
Energy at 0K	-154.914171
Energy at 298.15K	-154.920847
HF Energy	-154.727185
Nuclear repulsion energy	81.956963

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'	3868	3868	21.01	94.69	0.29	0.45
2	A'	3162	3162	23.45	54.72	0.75	0.86
3	A'	3080	3080	13.03	104.29	0.01	0.02
4	A'	3013	3013	62.35	100.45	0.11	0.20
5	A'	1552	1552	1.73	3.16	0.65	0.79
6	A'	1524	1524	2.15	19.95	0.75	0.86
7	A'	1478	1478	13.75	3.39	0.59	0.75
8	A'	1417	1417	0.95	0.77	0.70	0.82
9	A'	1290	1290	74.88	4.75	0.74	0.85
10	A'	1130	1130	27.98	5.20	0.52	0.68
11	A'	1050	1050	47.85	3.58	0.15	0.26
12	A'	916	916	10.08	5.82	0.31	0.47
13	A'	417	417	10.18	0.25	0.68	0.81
14	A"	3166	3166	25.56	42.94	0.75	0.86
15	A"	3044	3044	59.24	80.58	0.75	0.86
16	A"	1506	1506	3.99	13.75	0.75	0.86
17	A"	1314	1314	0.01	10.45	0.75	0.86
18	A"	1198	1198	4.45	2.21	0.75	0.86
19	A"	827	827	0.03	0.08	0.75	0.86
20	A"	292	292	80.77	2.87	0.75	0.86
21	A"	246	246	33.54	0.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.167	-0.410	0.000
C2	0.000	0.556	0.000
O3	-1.193	-0.214	0.000
H4	-1.936	0.393	0.000
H5	2.115	0.130	0.000
H6	1.129	-1.048	0.884
H7	1.129	-1.048	-0.884
H8	0.051	1.205	0.885
H9	0.051	1.205	-0.885

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5155	2.3683	3.2053	1.0914	1.0907	1.0907	2.1536	2.1536
C2	1.5155		1.4196	1.9424	2.1580	2.1516	2.1516	1.0981	1.0981
O3	2.3683	1.4196		0.9593	3.3261	2.6205	2.6205	2.0836	2.0836
H4	3.2053	1.9424	0.9593		4.0596	3.4999	3.4999	2.3209	2.3209
H5	1.0914	2.1580	3.3261	4.0596		1.7730	1.7730	2.4901	2.4901
H6	1.0907	2.1516	2.6205	3.4999	1.7730		1.7677	2.4978	3.0604
H7	1.0907	2.1516	2.6205	3.4999	1.7730	1.7677		3.0604	2.4978
H8	2.1536	1.0981	2.0836	2.3209	2.4901	2.4978	3.0604		1.7692
H9	2.1536	1.0981	2.0836	2.3209	2.4901	3.0604	2.4978	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.538	C1	C2	H8	109.945
C1	C2	H9	109.945	C2	C1	H5	110.694
C2	C1	H6	110.228	C2	C1	H7	110.228
C2	O3	H4	107.906	O3	C2	H8	111.052
O3	C2	H9	111.052	H5	C1	H6	108.688
H5	C1	H7	108.688	H6	C1	H7	108.254
H8	C2	H9	107.322

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)