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	hartrees
Energy at 0K	-154.983419
Energy at 298.15K	-154.990097
HF Energy	-154.775719
Nuclear repulsion energy	82.016430

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'	3857	3686	27.29	101.71	0.26	0.42
2	A'	3135	2996	27.41	57.56	0.75	0.86
3	A'	3065	2930	15.37	149.10	0.01	0.01
4	A'	3013	2880	65.89	130.04	0.09	0.16
5	A'	1548	1480	1.23	3.44	0.68	0.81
6	A'	1519	1451	2.64	11.68	0.75	0.86
7	A'	1469	1404	11.45	2.85	0.34	0.51
8	A'	1417	1354	2.18	0.10	0.75	0.86
9	A'	1282	1225	69.09	2.17	0.75	0.85
10	A'	1117	1068	26.23	5.57	0.55	0.71
11	A'	1047	1001	58.71	4.50	0.15	0.26
12	A'	911	870	12.45	5.45	0.28	0.44
13	A'	419	401	10.57	0.29	0.68	0.81
14	A"	3140	3001	30.61	42.69	0.75	0.86
15	A"	3038	2904	50.93	96.39	0.75	0.86
16	A"	1500	1434	5.62	7.38	0.75	0.86
17	A"	1315	1257	0.01	6.31	0.75	0.86
18	A"	1194	1141	3.64	1.11	0.75	0.86
19	A"	829	792	0.06	0.06	0.75	0.86
20	A"	286	273	66.77	1.95	0.75	0.86
21	A"	246	235	49.47	0.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.170	-0.400	0.000
C2	0.000	0.555	0.000
O3	-1.193	-0.222	0.000
H4	-1.944	0.375	0.000
H5	2.110	0.147	0.000
H6	1.138	-1.036	0.882
H7	1.138	-1.036	-0.882
H8	0.042	1.198	0.883
H9	0.042	1.198	-0.883

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5106	2.3700	3.2095	1.0882	1.0874	1.0874	2.1466	2.1466
C2	1.5106		1.4239	1.9528	2.1495	2.1458	2.1458	1.0931	1.0931
O3	2.3700	1.4239		0.9593	3.3242	2.6222	2.6222	2.0791	2.0791
H4	3.2095	1.9528	0.9593		4.0613	3.5029	3.5029	2.3246	2.3246
H5	1.0882	2.1495	3.3242	4.0613		1.7670	1.7670	2.4825	2.4825
H6	1.0874	2.1458	2.6222	3.5029	1.7670		1.7633	2.4888	3.0508
H7	1.0874	2.1458	2.6222	3.5029	1.7670	1.7633		3.0508	2.4888
H8	2.1466	1.0931	2.0791	2.3246	2.4825	2.4888	3.0508		1.7656
H9	2.1466	1.0931	2.0791	2.3246	2.4825	3.0508	2.4888	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.693	C1	C2	H8	110.026
C1	C2	H9	110.026	C2	C1	H5	110.555
C2	C1	H6	110.308	C2	C1	H7	110.308
C2	O3	H4	108.471	O3	C2	H8	110.691
O3	C2	H9	110.691	H5	C1	H6	108.628
H5	C1	H7	108.628	H6	C1	H7	108.353
H8	C2	H9	107.724

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)