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	hartrees
Energy at 0K	-154.892017
Energy at 298.15K	-154.898668
HF Energy	-154.728954
Nuclear repulsion energy	81.699482

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'	3865	3675	27.94	100.56	0.25	0.40
2	A'	3164	3009	27.91	61.58	0.75	0.86
3	A'	3084	2933	16.76	143.45	0.01	0.02
4	A'	3037	2889	71.30	114.40	0.11	0.19
5	A'	1555	1479	1.66	4.25	0.75	0.86
6	A'	1528	1454	3.55	12.60	0.73	0.84
7	A'	1471	1399	19.22	3.46	0.43	0.60
8	A'	1425	1355	0.57	0.21	0.42	0.59
9	A'	1271	1209	71.68	3.28	0.71	0.83
10	A'	1111	1057	28.06	7.27	0.50	0.66
11	A'	1050	998	62.86	4.09	0.25	0.41
12	A'	911	867	15.47	6.78	0.27	0.43
13	A'	420	400	12.40	0.35	0.55	0.71
14	A"	3174	3018	30.01	44.49	0.75	0.86
15	A"	3075	2924	52.37	103.69	0.75	0.86
16	A"	1510	1436	6.72	9.45	0.75	0.86
17	A"	1314	1250	0.10	8.53	0.75	0.86
18	A"	1196	1138	3.63	0.89	0.75	0.86
19	A"	830	790	0.02	0.14	0.75	0.86
20	A"	285	271	78.00	1.14	0.75	0.86
21	A"	238	226	69.60	0.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.176	-0.397	0.000
C2	0.000	0.558	0.000
O3	-1.197	-0.227	0.000
H4	-1.960	0.362	0.000
H5	2.117	0.158	0.000
H6	1.147	-1.035	0.885
H7	1.147	-1.035	-0.885
H8	0.034	1.201	0.887
H9	0.034	1.201	-0.887

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5149	2.3789	3.2267	1.0922	1.0909	1.0909	2.1557	2.1557
C2	1.5149		1.4310	1.9700	2.1540	2.1527	2.1527	1.0965	1.0965
O3	2.3789	1.4310		0.9639	3.3357	2.6323	2.6323	2.0836	2.0836
H4	3.2267	1.9700	0.9639		4.0819	3.5196	3.5196	2.3384	2.3384
H5	1.0922	2.1540	3.3357	4.0819		1.7734	1.7734	2.4928	2.4928
H6	1.0909	2.1527	2.6323	3.5196	1.7734		1.7697	2.4978	3.0625
H7	1.0909	2.1527	2.6323	3.5196	1.7734	1.7697		3.0625	2.4978
H8	2.1557	1.0965	2.0836	2.3384	2.4928	2.4978	3.0625		1.7741
H9	2.1557	1.0965	2.0836	2.3384	2.4928	3.0625	2.4978	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.676	C1	C2	H8	110.249
C1	C2	H9	110.249	C2	C1	H5	110.380
C2	C1	H6	110.348	C2	C1	H7	110.348
C2	O3	H4	109.126	O3	C2	H8	110.343
O3	C2	H9	110.343	H5	C1	H6	108.648
H5	C1	H7	108.648	H6	C1	H7	108.412
H8	C2	H9	107.992

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)