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	hartrees
Energy at 0K	-154.855067
Energy at 298.15K	-154.861776
HF Energy	-154.706765
Nuclear repulsion energy	81.774086

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'	3779	3584	13.88	107.95	0.31	0.47
2	A'	3168	3005	28.63	58.53	0.75	0.86
3	A'	3091	2932	14.27	106.95	0.01	0.03
4	A'	3026	2870	68.33	102.69	0.13	0.22
5	A'	1583	1501	2.46	4.77	0.66	0.80
6	A'	1553	1473	3.12	24.91	0.75	0.86
7	A'	1500	1422	16.60	5.85	0.63	0.77
8	A'	1446	1371	0.38	0.91	0.63	0.77
9	A'	1305	1238	86.36	6.69	0.74	0.85
10	A'	1135	1077	21.16	6.00	0.55	0.71
11	A'	1061	1006	54.95	3.04	0.20	0.33
12	A'	925	877	10.78	6.28	0.37	0.54
13	A'	422	400	11.78	0.27	0.67	0.80
14	A"	3176	3012	30.63	47.05	0.75	0.86
15	A"	3057	2899	72.05	86.77	0.75	0.86
16	A"	1535	1456	4.45	17.14	0.75	0.86
17	A"	1326	1258	0.10	14.29	0.75	0.86
18	A"	1211	1149	4.85	3.43	0.75	0.86
19	A"	840	796	0.00	0.05	0.75	0.86
20	A"	306	290	100.44	4.25	0.75	0.86
21	A"	257	244	35.15	0.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.170	-0.406	0.000
C2	0.000	0.558	0.000
O3	-1.194	-0.220	0.000
H4	-1.945	0.390	0.000
H5	2.118	0.139	0.000
H6	1.133	-1.045	0.885
H7	1.133	-1.045	-0.885
H8	0.047	1.207	0.886
H9	0.047	1.207	-0.886

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5158	2.3712	3.2153	1.0935	1.0924	1.0924	2.1562	2.1562
C2	1.5158		1.4251	1.9523	2.1593	2.1529	2.1529	1.0995	1.0995
O3	2.3712	1.4251		0.9681	3.3315	2.6224	2.6224	2.0883	2.0883
H4	3.2153	1.9523	0.9681		4.0711	3.5095	3.5095	2.3277	2.3277
H5	1.0935	2.1593	3.3315	4.0711		1.7763	1.7763	2.4937	2.4937
H6	1.0924	2.1529	2.6224	3.5095	1.7763		1.7709	2.5000	3.0641
H7	1.0924	2.1529	2.6224	3.5095	1.7763	1.7709		3.0641	2.5000
H8	2.1562	1.0995	2.0883	2.3277	2.4937	2.5000	3.0641		1.7724
H9	2.1562	1.0995	2.0883	2.3277	2.4937	3.0641	2.5000	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.431	C1	C2	H8	110.044
C1	C2	H9	110.044	C2	C1	H5	110.650
C2	C1	H6	110.209	C2	C1	H7	110.209
C2	O3	H4	107.794	O3	C2	H8	110.965
O3	C2	H9	110.965	H5	C1	H6	108.709
H5	C1	H7	108.709	H6	C1	H7	108.298
H8	C2	H9	107.409

All results from a given calculation for CH₃CH₂OH (Ethanol)

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

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/6-31G*

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)