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	hartrees
Energy at 0K	-154.933199
Energy at 298.15K	-154.939883
Nuclear repulsion energy	81.172396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3677	3522	3.26
2	A'	3154	3020	29.10
3	A'	3067	2937	15.80
4	A'	3005	2878	65.25
5	A'	1568	1502	1.55
6	A'	1545	1480	6.61
7	A'	1471	1409	16.30
8	A'	1451	1389	2.12
9	A'	1278	1224	65.02
10	A'	1118	1071	8.58
11	A'	1046	1001	69.18
12	A'	906	867	21.21
13	A'	416	398	15.98
14	A"	3164	3030	32.60
15	A"	3043	2915	71.26
16	A"	1526	1462	7.28
17	A"	1317	1261	0.83
18	A"	1190	1139	4.96
19	A"	851	815	0.71
20	A"	308	295	149.44
21	A"	242	231	30.42

Atom	x (Å)	y (Å)	z (Å)
C1	1.183	-0.380	0.000
C2	0.000	0.567	0.000
O3	-1.199	-0.251	0.000
H4	-1.996	0.313	0.000
H5	2.126	0.179	0.000
H6	1.155	-1.021	0.886
H7	1.155	-1.021	-0.886
H8	0.028	1.216	0.889
H9	0.028	1.216	-0.889

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5154	2.3859	3.2531	1.0955	1.0942	1.0942	2.1611	2.1611
C2	1.5154		1.4522	2.0117	2.1611	2.1544	2.1544	1.1010	1.1010
O3	2.3859	1.4522		0.9758	3.3528	2.6304	2.6304	2.1099	2.1099
H4	3.2531	2.0117	0.9758		4.1235	3.5338	3.5338	2.3881	2.3881
H5	1.0955	2.1611	3.3528	4.1235		1.7795	1.7795	2.5032	2.5032
H6	1.0942	2.1544	2.6304	3.5338	1.7795		1.7722	2.5047	3.0700
H7	1.0942	2.1544	2.6304	3.5338	1.7795	1.7722		3.0700	2.5047
H8	2.1611	1.1010	2.1099	2.3881	2.5032	2.5047	3.0700		1.7781
H9	2.1611	1.1010	2.1099	2.3881	2.5032	3.0700	2.5047	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.004	C1	C2	H8	110.373
C1	C2	H9	110.373	C2	C1	H5	110.696
C2	C1	H6	110.247	C2	C1	H7	110.247
C2	O3	H4	110.360	O3	C2	H8	110.707
O3	C2	H9	110.707	H5	C1	H6	108.717
H5	C1	H7	108.717	H6	C1	H7	108.152
H8	C2	H9	107.702

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	-0.469
2	C	-0.077
3	O	-0.624
4	H	0.368
5	H	0.153
6	H	0.178
7	H	0.178
8	H	0.147
9	H	0.147

	x	y	z	Total
	0.040	1.905	0.000	1.905
CHELPG
AIM
ESP

<r²>	54.518
(<r²>)^1/2	7.384

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)