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	hartrees
Energy at 0K	-154.988829
Energy at 298.15K	-154.995501
Nuclear repulsion energy	81.862998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3866	3705	16.36
2	A'	3147	3017	26.35
3	A'	3063	2935	14.99
4	A'	2981	2857	74.29
5	A'	1541	1477	2.81
6	A'	1511	1448	2.81
7	A'	1470	1409	14.86
8	A'	1406	1347	1.51
9	A'	1281	1228	89.14
10	A'	1137	1089	34.90
11	A'	1046	1002	46.85
12	A'	916	878	8.20
13	A'	417	400	11.58
14	A"	3151	3020	28.54
15	A"	3011	2886	74.50
16	A"	1492	1430	5.03
17	A"	1304	1250	0.09
18	A"	1187	1137	5.08
19	A"	823	788	0.11
20	A"	295	282	94.68
21	A"	250	240	37.75

Atom	x (Å)	y (Å)	z (Å)
C1	1.168	-0.414	0.000
C2	0.000	0.552	0.000
O3	-1.196	-0.209	0.000
H4	-1.938	0.405	0.000
H5	2.118	0.129	0.000
H6	1.132	-1.054	0.886
H7	1.132	-1.054	-0.886
H8	0.058	1.206	0.886
H9	0.058	1.206	-0.886

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5153	2.3728	3.2120	1.0944	1.0938	1.0938	2.1538	2.1538
C2	1.5153		1.4174	1.9436	2.1603	2.1557	2.1557	1.1027	1.1027
O3	2.3728	1.4174		0.9630	3.3316	2.6308	2.6308	2.0875	2.0875
H4	3.2120	1.9436	0.9630		4.0659	3.5131	3.5131	2.3259	2.3259
H5	1.0944	2.1603	3.3316	4.0659		1.7767	1.7767	2.4881	2.4881
H6	1.0938	2.1557	2.6308	3.5131	1.7767		1.7715	2.5023	3.0662
H7	1.0938	2.1557	2.6308	3.5131	1.7767	1.7715		3.0662	2.5023
H8	2.1538	1.1027	2.0875	2.3259	2.4881	2.5023	3.0662		1.7726
H9	2.1538	1.1027	2.0875	2.3259	2.4881	3.0662	2.5023	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.965	C1	C2	H8	109.702
C1	C2	H9	109.702	C2	C1	H5	110.712
C2	C1	H6	110.377	C2	C1	H7	110.377
C2	O3	H4	107.948	O3	C2	H8	111.245
O3	C2	H9	111.245	H5	C1	H6	108.577
H5	C1	H7	108.577	H6	C1	H7	108.148
H8	C2	H9	106.977

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: B3PW91/6-31G**

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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Number	Element	Mulliken
1	C	-0.394
2	C	0.003
3	O	-0.545
4	H	0.318
5	H	0.124
6	H	0.143
7	H	0.143
8	H	0.103
9	H	0.103

	x	y	z	Total
	-0.023	1.545	0.000	1.545
CHELPG
AIM
ESP

<r²>	53.867
(<r²>)^1/2	7.339

All results from a given calculation for CH3CH2OH (Ethanol)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)