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	hartrees
Energy at 0K	-154.573320
Energy at 298.15K	-154.580036
HF Energy	-154.091359
Nuclear repulsion energy	81.613417

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'	3857	3674	28.67	94.47	0.29	0.45
2	A'	3196	3044	21.52	62.16	0.75	0.86
3	A'	3093	2946	13.92	130.03	0.01	0.02
4	A'	3032	2888	69.55	115.77	0.11	0.20
5	A'	1534	1461	2.19	4.63	0.69	0.82
6	A'	1503	1432	2.62	17.61	0.75	0.86
7	A'	1476	1406	13.34	5.58	0.46	0.63
8	A'	1396	1330	0.95	0.42	0.74	0.85
9	A'	1289	1228	78.50	3.68	0.75	0.86
10	A'	1139	1085	36.51	5.54	0.66	0.80
11	A'	1064	1013	34.24	4.54	0.14	0.25
12	A'	922	878	11.47	4.99	0.34	0.51
13	A'	416	396	10.58	0.26	0.69	0.82
14	A"	3201	3049	23.06	51.95	0.75	0.86
15	A"	3077	2930	68.77	95.67	0.75	0.86
16	A"	1481	1411	5.15	12.79	0.75	0.86
17	A"	1308	1246	0.00	9.33	0.75	0.86
18	A"	1189	1133	4.76	1.96	0.75	0.86
19	A"	824	785	0.00	0.08	0.75	0.86
20	A"	306	291	84.05	3.17	0.75	0.86
21	A"	260	247	33.94	0.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.167	-0.413	0.000
C2	0.000	0.558	0.000
O3	-1.195	-0.215	0.000
H4	-1.930	0.412	0.000
H5	2.128	0.127	0.000
H6	1.122	-1.057	0.893
H7	1.122	-1.057	-0.893
H8	0.057	1.213	0.893
H9	0.057	1.213	-0.893

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5188	2.3706	3.2057	1.1023	1.1015	1.1015	2.1624	2.1624
C2	1.5188		1.4234	1.9360	2.1713	2.1602	2.1602	1.1090	1.1090
O3	2.3706	1.4234		0.9661	3.3406	2.6223	2.6223	2.0990	2.0990
H4	3.2057	1.9360	0.9661		4.0684	3.5034	3.5034	2.3219	2.3219
H5	1.1023	2.1713	3.3406	4.0684		1.7918	1.7918	2.5031	2.5031
H6	1.1015	2.1602	2.6223	3.5034	1.7918		1.7854	2.5078	3.0788
H7	1.1015	2.1602	2.6223	3.5034	1.7918	1.7854		3.0788	2.5078
H8	2.1624	1.1090	2.0990	2.3219	2.5031	2.5078	3.0788		1.7864
H9	2.1624	1.1090	2.0990	2.3219	2.5031	3.0788	2.5078	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.315	C1	C2	H8	109.763
C1	C2	H9	109.763	C2	C1	H5	110.863
C2	C1	H6	110.035	C2	C1	H7	110.035
C2	O3	H4	106.663	O3	C2	H8	111.353
O3	C2	H9	111.353	H5	C1	H6	108.788
H5	C1	H7	108.788	H6	C1	H7	108.272
H8	C2	H9	107.298

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)