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	hartrees
Energy at 0K	-154.998334
Energy at 298.15K	-155.004983
Nuclear repulsion energy	81.745462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3872	3718	28.51
2	A'	3140	3015	25.92
3	A'	3057	2935	16.63
4	A'	2996	2877	76.18
5	A'	1527	1466	2.09
6	A'	1501	1441	3.55
7	A'	1452	1394	17.51
8	A'	1399	1343	1.75
9	A'	1263	1212	77.92
10	A'	1119	1074	42.22
11	A'	1042	1000	51.47
12	A'	909	873	10.88
13	A'	417	401	12.48
14	A"	3146	3020	28.08
15	A"	3030	2909	56.73
16	A"	1483	1424	7.60
17	A"	1300	1248	0.11
18	A"	1178	1131	4.24
19	A"	819	786	0.17
20	A"	288	277	104.29
21	A"	243	233	42.47

Atom	x (Å)	y (Å)	z (Å)
C1	1.173	-0.405	0.000
C2	0.000	0.553	0.000
O3	-1.198	-0.215	0.000
H4	-1.954	0.381	0.000
H5	2.119	0.147	0.000
H6	1.145	-1.046	0.886
H7	1.145	-1.046	-0.886
H8	0.044	1.202	0.889
H9	0.044	1.202	-0.889

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5148	2.3784	3.2244	1.0950	1.0942	1.0942	2.1557	2.1557
C2	1.5148		1.4230	1.9613	2.1572	2.1573	2.1573	1.1012	1.1012
O3	2.3784	1.4230		0.9632	3.3361	2.6390	2.6390	2.0832	2.0832
H4	3.2244	1.9613	0.9632		4.0792	3.5250	3.5250	2.3354	2.3354
H5	1.0950	2.1572	3.3361	4.0792		1.7769	1.7769	2.4913	2.4913
H6	1.0942	2.1573	2.6390	3.5250	1.7769		1.7730	2.5029	3.0685
H7	1.0942	2.1573	2.6390	3.5250	1.7769	1.7730		3.0685	2.5029
H8	2.1557	1.1012	2.0832	2.3354	2.4913	2.5029	3.0685		1.7774
H9	2.1557	1.1012	2.0832	2.3354	2.4913	3.0685	2.5029	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.077	C1	C2	H8	109.984
C1	C2	H9	109.984	C2	C1	H5	110.469
C2	C1	H6	110.521	C2	C1	H7	110.521
C2	O3	H4	109.040	O3	C2	H8	110.594
O3	C2	H9	110.594	H5	C1	H6	108.516
H5	C1	H7	108.516	H6	C1	H7	108.227
H8	C2	H9	107.616

All results from a given calculation for CH₃CH₂OH (Ethanol)

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

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	-0.477
2	C	-0.133
3	O	-0.522
4	H	0.348
5	H	0.159
6	H	0.177
7	H	0.177
8	H	0.136
9	H	0.136

	x	y	z	Total
	0.132	1.751	0.000	1.756
CHELPG
AIM
ESP

<r²>	54.358
(<r²>)^1/2	7.373

All results from a given calculation for CH3CH2OH (Ethanol)

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

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)