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	hartrees
Energy at 0K	-154.878650
Energy at 298.15K	-154.885342
HF Energy	-154.719242
Nuclear repulsion energy	81.662446

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'	3825	3666	22.67	106.64	0.30	0.46
2	A'	3154	3023	26.61	66.62	0.75	0.86
3	A'	3068	2941	15.69	137.67	0.01	0.02
4	A'	2998	2873	74.05	123.63	0.11	0.20
5	A'	1523	1460	2.07	4.53	0.68	0.81
6	A'	1494	1432	2.41	18.50	0.75	0.86
7	A'	1469	1408	13.32	6.13	0.52	0.68
8	A'	1396	1338	0.68	0.52	0.74	0.85
9	A'	1284	1231	80.79	3.95	0.75	0.86
10	A'	1124	1078	33.76	5.76	0.66	0.79
11	A'	1053	1009	42.30	4.37	0.15	0.25
12	A'	915	877	12.26	5.31	0.37	0.54
13	A'	416	398	10.39	0.28	0.72	0.84
14	A"	3158	3027	28.89	55.09	0.75	0.86
15	A"	3031	2905	73.97	105.38	0.75	0.86
16	A"	1472	1411	5.10	13.18	0.75	0.86
17	A"	1301	1247	0.02	9.55	0.75	0.86
18	A"	1182	1133	4.52	2.36	0.75	0.86
19	A"	825	791	0.01	0.08	0.75	0.86
20	A"	299	286	81.44	3.34	0.75	0.86
21	A"	254	244	34.44	1.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.168	-0.411	0.000
C2	0.000	0.557	0.000
O3	-1.195	-0.215	0.000
H4	-1.937	0.402	0.000
H5	2.126	0.131	0.000
H6	1.128	-1.055	0.891
H7	1.128	-1.055	-0.891
H8	0.054	1.212	0.892
H9	0.054	1.212	-0.892

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5168	2.3711	3.2100	1.1005	1.1000	1.1000	2.1606	2.1606
C2	1.5168		1.4228	1.9435	2.1678	2.1596	2.1596	1.1076	1.1076
O3	2.3711	1.4228		0.9654	3.3387	2.6257	2.6257	2.0956	2.0956
H4	3.2100	1.9435	0.9654		4.0719	3.5088	3.5088	2.3273	2.3273
H5	1.1005	2.1678	3.3387	4.0719		1.7879	1.7879	2.5006	2.5006
H6	1.1000	2.1596	2.6257	3.5088	1.7879		1.7815	2.5081	3.0769
H7	1.1000	2.1596	2.6257	3.5088	1.7879	1.7815		3.0769	2.5081
H8	2.1606	1.1076	2.0956	2.3273	2.5006	2.5081	3.0769		1.7834
H9	2.1606	1.1076	2.0956	2.3273	2.5006	3.0769	2.5081	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.491	C1	C2	H8	109.845
C1	C2	H9	109.845	C2	C1	H5	110.835
C2	C1	H6	110.213	C2	C1	H7	110.213
C2	O3	H4	107.386	O3	C2	H8	111.217
O3	C2	H9	111.217	H5	C1	H6	108.681
H5	C1	H7	108.681	H6	C1	H7	108.150
H8	C2	H9	107.235

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: B2PLYP=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)