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	hartrees
Energy at 0K	-154.640175
Energy at 298.15K	-154.646910
HF Energy	-154.110074
Nuclear repulsion energy	82.001235

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'	3858	3654	17.31	93.71	0.31	0.48
2	A'	3184	3016	24.89	58.74	0.75	0.86
3	A'	3092	2929	14.00	120.60	0.01	0.03
4	A'	3043	2882	69.13	111.93	0.12	0.21
5	A'	1576	1493	1.42	4.51	0.73	0.84
6	A'	1543	1461	4.01	16.99	0.75	0.86
7	A'	1500	1421	11.56	4.80	0.39	0.56
8	A'	1438	1362	5.53	0.43	0.53	0.70
9	A'	1308	1238	91.30	4.10	0.74	0.85
10	A'	1142	1081	26.30	6.12	0.63	0.77
11	A'	1076	1019	49.24	3.65	0.15	0.26
12	A'	932	883	9.90	5.30	0.36	0.53
13	A'	427	404	13.47	0.30	0.64	0.78
14	A"	3192	3023	27.19	46.70	0.75	0.86
15	A"	3085	2922	60.22	93.33	0.75	0.86
16	A"	1523	1442	8.07	11.00	0.75	0.86
17	A"	1333	1262	0.03	10.05	0.75	0.86
18	A"	1211	1147	5.15	1.65	0.75	0.86
19	A"	837	793	0.00	0.07	0.75	0.86
20	A"	307	291	96.78	2.73	0.75	0.86
21	A"	258	244	57.44	1.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.166	-0.404	0.000
C2	0.000	0.558	0.000
O3	-1.189	-0.221	0.000
H4	-1.940	0.377	0.000
H5	2.116	0.137	0.000
H6	1.125	-1.041	0.885
H7	1.125	-1.041	-0.885
H8	0.044	1.203	0.888
H9	0.044	1.203	-0.888

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5118	2.3629	3.2030	1.0924	1.0910	1.0910	2.1516	2.1516
C2	1.5118		1.4216	1.9482	2.1573	2.1462	2.1462	1.0982	1.0982
O3	2.3629	1.4216		0.9598	3.3244	2.6103	2.6103	2.0826	2.0826
H4	3.2030	1.9482	0.9598		4.0628	3.4915	3.4915	2.3252	2.3252
H5	1.0924	2.1573	3.3244	4.0628		1.7750	1.7750	2.4932	2.4932
H6	1.0910	2.1462	2.6103	3.4915	1.7750		1.7694	2.4909	3.0571
H7	1.0910	2.1462	2.6103	3.4915	1.7750	1.7694		3.0571	2.4909
H8	2.1516	1.0982	2.0826	2.3252	2.4932	2.4909	3.0571		1.7753
H9	2.1516	1.0982	2.0826	2.3252	2.4932	3.0571	2.4909	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.277	C1	C2	H8	110.032
C1	C2	H9	110.032	C2	C1	H5	110.838
C2	C1	H6	110.031	C2	C1	H7	110.031
C2	O3	H4	108.227	O3	C2	H8	110.828
O3	C2	H9	110.828	H5	C1	H6	108.763
H5	C1	H7	108.763	H6	C1	H7	108.360
H8	C2	H9	107.856

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)