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	hartrees
Energy at 0K	-30.611666
Energy at 298.15K	-30.618349
HF Energy	-30.159870
Nuclear repulsion energy	48.841728

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'	3792	3613	19.45	99.11	0.29	0.45
2	A'	3174	3025	30.73	57.18	0.75	0.86
3	A'	3076	2931	16.42	147.40	0.01	0.03
4	A'	3042	2899	74.38	108.06	0.12	0.21
5	A'	1568	1494	1.23	4.07	0.75	0.86
6	A'	1538	1465	3.83	16.37	0.74	0.85
7	A'	1482	1412	16.65	6.09	0.41	0.59
8	A'	1429	1361	0.81	0.32	0.71	0.83
9	A'	1291	1230	85.11	4.02	0.70	0.83
10	A'	1111	1058	23.59	7.65	0.60	0.75
11	A'	1061	1010	55.31	4.93	0.18	0.30
12	A'	912	869	13.74	7.08	0.31	0.47
13	A'	414	394	12.92	0.33	0.61	0.75
14	A"	3187	3037	33.87	42.86	0.75	0.86
15	A"	3095	2949	58.70	93.69	0.75	0.86
16	A"	1520	1448	6.39	10.50	0.75	0.86
17	A"	1306	1245	0.19	10.94	0.75	0.86
18	A"	1196	1139	3.55	2.72	0.75	0.86
19	A"	826	787	0.04	0.08	0.75	0.86
20	A"	303	289	93.42	2.46	0.75	0.86
21	A"	249	237	54.52	0.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.182	-0.398	0.000
C2	0.000	0.566	0.000
O3	-1.202	-0.236	0.000
H4	-1.959	0.374	0.000
H5	2.126	0.158	0.000
H6	1.146	-1.034	0.889
H7	1.146	-1.034	-0.889
H8	0.032	1.208	0.892
H9	0.032	1.208	-0.892

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5254	2.3891	3.2346	1.0954	1.0936	1.0936	2.1679	2.1679
C2	1.5254		1.4446	1.9685	2.1647	2.1594	2.1594	1.0998	1.0998
O3	2.3891	1.4446		0.9725	3.3506	2.6338	2.6338	2.0983	2.0983
H4	3.2346	1.9685	0.9725		4.0906	3.5231	3.5231	2.3357	2.3357
H5	1.0954	2.1647	3.3506	4.0906		1.7809	1.7809	2.5069	2.5069
H6	1.0936	2.1594	2.6338	3.5231	1.7809		1.7779	2.5037	3.0727
H7	1.0936	2.1594	2.6338	3.5231	1.7809	1.7779		3.0727	2.5037
H8	2.1679	1.0998	2.0983	2.3357	2.5069	2.5037	3.0727		1.7846
H9	2.1679	1.0998	2.0983	2.3357	2.5069	3.0727	2.5037	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.073	C1	C2	H8	110.286
C1	C2	H9	110.286	C2	C1	H5	110.295
C2	C1	H6	109.987	C2	C1	H7	109.987
C2	O3	H4	107.441	O3	C2	H8	110.374
O3	C2	H9	110.374	H5	C1	H6	108.889
H5	C1	H7	108.889	H6	C1	H7	108.759
H8	C2	H9	108.453

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)