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	hartrees
Energy at 0K	-153.955880
Energy at 298.15K	-153.962581
HF Energy	-153.853310
Nuclear repulsion energy	80.861448

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'	3497	3329	0.90	135.74	0.32	0.48
2	A'	3163	3012	23.55	52.90	0.75	0.86
3	A'	3092	2944	11.35	95.05	0.02	0.03
4	A'	3024	2878	53.84	95.21	0.15	0.26
5	A'	1618	1541	2.14	6.89	0.70	0.82
6	A'	1592	1516	5.82	30.89	0.75	0.86
7	A'	1488	1417	10.00	4.05	0.64	0.78
8	A'	1478	1407	6.65	2.28	0.68	0.81
9	A'	1302	1240	67.69	10.82	0.74	0.85
10	A'	1126	1072	0.86	6.50	0.43	0.61
11	A'	1009	961	57.53	2.33	0.31	0.48
12	A'	901	858	9.74	8.03	0.31	0.47
13	A'	401	382	14.65	0.33	0.73	0.85
14	A"	3171	3019	26.68	40.85	0.75	0.86
15	A"	3049	2903	69.61	81.91	0.75	0.86
16	A"	1572	1497	5.03	21.16	0.75	0.86
17	A"	1345	1281	1.39	15.45	0.75	0.86
18	A"	1199	1142	3.82	7.89	0.75	0.86
19	A"	872	830	0.12	0.04	0.75	0.86
20	A"	315	300	129.17	8.98	0.75	0.86
21	A"	245	233	17.47	0.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.182	-0.387	0.000
C2	0.000	0.583	0.000
O3	-1.198	-0.261	0.000
H4	-1.990	0.337	0.000
H5	2.130	0.157	0.000
H6	1.128	-1.022	0.886
H7	1.128	-1.022	-0.886
H8	0.046	1.228	0.888
H9	0.046	1.228	-0.888

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5292	2.3832	3.2538	1.0927	1.0916	1.0916	2.1650	2.1650
C2	1.5292		1.4653	2.0054	2.1726	2.1530	2.1530	1.0983	1.0983
O3	2.3832	1.4653		0.9926	3.3540	2.6029	2.6029	2.1335	2.1335
H4	3.2538	2.0054	0.9926		4.1244	3.5153	3.5153	2.3934	2.3934
H5	1.0927	2.1726	3.3540	4.1244		1.7827	1.7827	2.5063	2.5063
H6	1.0916	2.1530	2.6029	3.5153	1.7827		1.7717	2.4972	3.0630
H7	1.0916	2.1530	2.6029	3.5153	1.7827	1.7717		3.0630	2.4972
H8	2.1650	1.0983	2.1335	2.3934	2.5063	2.4972	3.0630		1.7757
H9	2.1650	1.0983	2.1335	2.3934	2.5063	3.0630	2.4972	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.455	C1	C2	H8	109.884
C1	C2	H9	109.884	C2	C1	H5	110.823
C2	C1	H6	109.342	C2	C1	H7	109.342
C2	O3	H4	107.804	O3	C2	H8	111.866
O3	C2	H9	111.866	H5	C1	H6	109.402
H5	C1	H7	109.402	H6	C1	H7	108.491
H8	C2	H9	107.877

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: B2PLYP=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)