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	hartrees
Energy at 0K	-154.693295
Energy at 298.15K	-154.699983
HF Energy	-154.124704
Nuclear repulsion energy	81.966820

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'	3915	3714	29.85	86.71	0.29	0.46
2	A'	3185	3021	24.38	57.46	0.75	0.86
3	A'	3092	2933	13.55	128.19	0.01	0.02
4	A'	3043	2887	65.03	113.65	0.11	0.19
5	A'	1557	1477	1.95	4.05	0.71	0.83
6	A'	1525	1447	2.58	16.13	0.75	0.86
7	A'	1490	1413	12.01	3.99	0.37	0.54
8	A'	1419	1346	2.60	0.47	0.56	0.72
9	A'	1301	1235	74.73	3.56	0.74	0.85
10	A'	1143	1084	30.00	5.64	0.61	0.76
11	A'	1071	1016	44.99	3.93	0.16	0.28
12	A'	928	880	10.91	5.24	0.33	0.50
13	A'	424	402	11.27	0.30	0.63	0.78
14	A"	3192	3028	26.65	45.03	0.75	0.86
15	A"	3086	2927	56.76	89.97	0.75	0.86
16	A"	1500	1423	5.67	10.31	0.75	0.86
17	A"	1329	1260	0.00	9.46	0.75	0.86
18	A"	1205	1143	4.85	1.20	0.75	0.86
19	A"	837	794	0.03	0.06	0.75	0.86
20	A"	290	276	33.36	1.30	0.75	0.86
21	A"	237	224	91.74	2.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.167	-0.409	0.000
C2	0.000	0.557	0.000
O3	-1.193	-0.217	0.000
H4	-1.925	0.402	0.000
H5	2.116	0.133	0.000
H6	1.124	-1.045	0.886
H7	1.124	-1.045	-0.886
H8	0.051	1.201	0.888
H9	0.051	1.201	-0.888

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5140	2.3671	3.1959	1.0932	1.0920	1.0920	2.1502	2.1502
C2	1.5140		1.4216	1.9311	2.1584	2.1483	2.1483	1.0985	1.0985
O3	2.3671	1.4216		0.9585	3.3276	2.6156	2.6156	2.0850	2.0850
H4	3.1959	1.9311	0.9585		4.0503	3.4897	3.4897	2.3093	2.3093
H5	1.0932	2.1584	3.3276	4.0503		1.7767	1.7767	2.4889	2.4889
H6	1.0920	2.1483	2.6156	3.4897	1.7767		1.7724	2.4896	3.0571
H7	1.0920	2.1483	2.6156	3.4897	1.7767	1.7724		3.0571	2.4896
H8	2.1502	1.0985	2.0850	2.3093	2.4889	2.4896	3.0571		1.7758
H9	2.1502	1.0985	2.0850	2.3093	2.4889	3.0571	2.4896	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.442	C1	C2	H8	109.762
C1	C2	H9	109.762	C2	C1	H5	110.726
C2	C1	H6	109.996	C2	C1	H7	109.996
C2	O3	H4	106.840	O3	C2	H8	111.011
O3	C2	H9	111.011	H5	C1	H6	108.789
H5	C1	H7	108.789	H6	C1	H7	108.495
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)