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	hartrees
Energy at 0K	-152.275272
Energy at 298.15K	-152.281839
HF Energy	-152.129568
Nuclear repulsion energy	79.838530

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	3374	46.89	46.52	0.31	0.47
2	A'	3562	3106	1.99	25.54	0.75	0.86
3	A'	3381	2948	1.39	34.84	0.02	0.04
4	A'	3328	2901	14.06	33.34	0.16	0.28
5	A'	1747	1524	0.75	0.58	0.72	0.83
6	A'	1725	1504	2.95	24.88	0.75	0.86
7	A'	1676	1461	7.41	7.13	0.72	0.84
8	A'	1601	1396	1.71	2.67	0.75	0.85
9	A'	1467	1279	32.60	8.26	0.75	0.86
10	A'	1251	1090	1.16	5.58	0.50	0.67
11	A'	1146	999	7.08	3.42	0.36	0.52
12	A'	1002	874	0.20	6.52	0.30	0.47
13	A'	410	357	5.19	0.36	0.66	0.80
14	A"	3565	3108	2.33	21.06	0.75	0.86
15	A"	3433	2993	19.83	29.59	0.75	0.86
16	A"	1722	1501	0.75	15.92	0.75	0.86
17	A"	1417	1236	0.03	13.31	0.75	0.86
18	A"	1258	1097	7.99	3.69	0.75	0.86
19	A"	895	780	0.00	0.01	0.75	0.86
20	A"	355	309	64.03	7.56	0.75	0.86
21	A"	209	183	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	-0.217	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		1.5604	2.4459	3.2786	1.1030	1.1028	1.1028	2.1990	2.1990
C2	1.5604		1.4626	1.9377	2.2003	2.2016	2.2016	1.1162	1.1162
O3	2.4459	1.4626		1.0167	3.4078	2.7016	2.7016	2.1416	2.1416
H4	3.2786	1.9377	1.0167		4.1115	3.6003	3.6003	2.3073	2.3073
H5	1.1030	2.2003	3.4078	4.1115		1.7925	1.7925	2.5262	2.5262
H6	1.1028	2.2016	2.7016	3.6003	1.7925		1.7897	2.5491	3.1158
H7	1.1028	2.2016	2.7016	3.6003	1.7925	1.7897		3.1158	2.5491
H8	2.1990	1.1162	2.1416	2.3073	2.5262	2.5491	3.1158		1.7939
H9	2.1990	1.1162	2.1416	2.3073	2.5262	3.1158	2.5491	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.974	C1	C2	H8	109.361
C1	C2	H9	109.361	C2	C1	H5	110.219
C2	C1	H6	110.337	C2	C1	H7	110.337
C2	O3	H4	101.281	O3	C2	H8	111.588
O3	C2	H9	111.588	H5	C1	H6	108.710
H5	C1	H7	108.710	H6	C1	H7	108.477
H8	C2	H9	106.942

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2/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/STO-3G

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)