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	hartrees
Energy at 0K	-152.276287
Energy at 298.15K	-152.282854
HF Energy	-152.129596
Nuclear repulsion energy	79.847758

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'	3870	3440	46.94	46.53	0.31	0.47
2	A'	3563	3167	1.98	25.53	0.75	0.86
3	A'	3381	3006	1.39	34.84	0.02	0.04
4	A'	3328	2958	14.05	33.32	0.16	0.28
5	A'	1748	1553	0.75	0.59	0.72	0.83
6	A'	1725	1534	2.95	24.86	0.75	0.86
7	A'	1676	1490	7.42	7.14	0.72	0.84
8	A'	1601	1423	1.70	2.67	0.75	0.85
9	A'	1467	1304	32.58	8.25	0.75	0.86
10	A'	1251	1112	1.16	5.58	0.50	0.67
11	A'	1146	1019	7.07	3.42	0.36	0.52
12	A'	1003	891	0.20	6.51	0.30	0.47
13	A'	410	364	5.19	0.36	0.66	0.80
14	A"	3565	3169	2.32	21.06	0.75	0.86
15	A"	3434	3052	19.81	29.58	0.75	0.86
16	A"	1722	1531	0.76	15.92	0.75	0.86
17	A"	1418	1260	0.03	13.30	0.75	0.86
18	A"	1258	1118	7.99	3.69	0.75	0.86
19	A"	895	796	0.00	0.01	0.75	0.86
20	A"	355	316	64.02	7.56	0.75	0.86
21	A"	210	186	1.94	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.201	-0.432	0.000
C2	0.000	0.565	0.000
O3	-1.236	-0.218	0.000
H4	-1.937	0.519	0.000
H5	2.155	0.121	0.000
H6	1.165	-1.075	0.895
H7	1.165	-1.075	-0.895
H8	0.068	1.226	0.897
H9	0.068	1.226	-0.897

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5600	2.4456	3.2782	1.1030	1.1027	1.1027	2.1987	2.1987
C2	1.5600		1.4624	1.9376	2.2000	2.2013	2.2013	1.1161	1.1161
O3	2.4456	1.4624		1.0167	3.4074	2.7014	2.7014	2.1414	2.1414
H4	3.2782	1.9376	1.0167		4.1111	3.6000	3.6000	2.3072	2.3072
H5	1.1030	2.2000	3.4074	4.1111		1.7923	1.7923	2.5259	2.5259
H6	1.1027	2.2013	2.7014	3.6000	1.7923		1.7895	2.5488	3.1155
H7	1.1027	2.2013	2.7014	3.6000	1.7923	1.7895		3.1155	2.5488
H8	2.1987	1.1161	2.1414	2.3072	2.5259	2.5488	3.1155		1.7937
H9	2.1987	1.1161	2.1414	2.3072	2.5259	3.1155	2.5488	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.977	C1	C2	H8	109.362
C1	C2	H9	109.362	C2	C1	H5	110.224
C2	C1	H6	110.341	C2	C1	H7	110.341
C2	O3	H4	101.283	O3	C2	H8	111.589
O3	C2	H9	111.589	H5	C1	H6	108.705
H5	C1	H7	108.705	H6	C1	H7	108.472
H8	C2	H9	106.936

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)