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	hartrees
Energy at 0K	-154.879955
Energy at 298.15K	-154.886660
HF Energy	-154.720014
Nuclear repulsion energy	81.859553

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	3865	14.91	105.98	0.30	0.46
2	A'	3175	3175	27.91	57.63	0.75	0.86
3	A'	3093	3093	14.38	109.60	0.01	0.02
4	A'	3025	3025	68.70	103.85	0.12	0.21
5	A'	1571	1571	2.64	4.58	0.66	0.80
6	A'	1541	1541	2.63	24.14	0.75	0.86
7	A'	1491	1491	16.59	5.29	0.63	0.77
8	A'	1435	1435	0.23	0.88	0.63	0.77
9	A'	1294	1294	83.92	6.30	0.73	0.85
10	A'	1133	1133	23.04	5.87	0.56	0.71
11	A'	1056	1056	54.72	3.12	0.18	0.31
12	A'	922	922	10.94	6.19	0.36	0.53
13	A'	421	421	11.36	0.28	0.67	0.80
14	A"	3182	3182	29.98	46.70	0.75	0.86
15	A"	3059	3059	70.71	84.96	0.75	0.86
16	A"	1523	1523	3.98	16.43	0.75	0.86
17	A"	1322	1322	0.06	13.59	0.75	0.86
18	A"	1207	1207	4.78	3.14	0.75	0.86
19	A"	835	835	0.00	0.05	0.75	0.86
20	A"	300	300	92.15	4.04	0.75	0.86
21	A"	256	256	38.75	1.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.170	-0.406	0.000
C2	0.000	0.557	0.000
O3	-1.194	-0.219	0.000
H4	-1.941	0.389	0.000
H5	2.116	0.137	0.000
H6	1.133	-1.044	0.884
H7	1.133	-1.044	-0.884
H8	0.049	1.206	0.884
H9	0.049	1.206	-0.884

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5151	2.3713	3.2111	1.0913	1.0903	1.0903	2.1535	2.1535
C2	1.5151		1.4241	1.9487	2.1571	2.1509	2.1509	1.0980	1.0980
O3	2.3713	1.4241		0.9632	3.3292	2.6223	2.6223	2.0872	2.0872
H4	3.2111	1.9487	0.9632		4.0651	3.5049	3.5049	2.3259	2.3259
H5	1.0913	2.1571	3.3292	4.0651		1.7727	1.7727	2.4894	2.4894
H6	1.0903	2.1509	2.6223	3.5049	1.7727		1.7675	2.4971	3.0597
H7	1.0903	2.1509	2.6223	3.5049	1.7727	1.7675		3.0597	2.4971
H8	2.1535	1.0980	2.0872	2.3259	2.4894	2.4971	3.0597		1.7688
H9	2.1535	1.0980	2.0872	2.3259	2.4894	3.0597	2.4971	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.522	C1	C2	H8	109.966
C1	C2	H9	109.966	C2	C1	H5	110.653
C2	C1	H6	110.217	C2	C1	H7	110.217
C2	O3	H4	107.866	O3	C2	H8	111.044
O3	C2	H9	111.044	H5	C1	H6	108.698
H5	C1	H7	108.698	H6	C1	H7	108.298
H8	C2	H9	107.312

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)