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	hartrees
Energy at 0K	-153.553563
Energy at 298.15K	-153.560254
HF Energy	-153.220476
Nuclear repulsion energy	80.481095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3497	3345	1.97
2	A'	3124	2988	23.91
3	A'	3054	2922	11.04
4	A'	2999	2869	43.71
5	A'	1615	1545	1.84
6	A'	1586	1517	4.94
7	A'	1495	1430	7.39
8	A'	1477	1413	5.93
9	A'	1312	1255	69.41
10	A'	1127	1078	0.26
11	A'	1010	966	50.22
12	A'	897	858	4.40
13	A'	399	382	14.82
14	A"	3132	2995	27.31
15	A"	3024	2893	60.50
16	A"	1568	1500	3.84
17	A"	1343	1285	0.94
18	A"	1203	1151	4.42
19	A"	865	827	0.00
20	A"	315	302	135.20
21	A"	246	236	13.45

Atom	x (Å)	y (Å)	z (Å)
C1	1.189	-0.391	0.000
C2	0.000	0.586	0.000
O3	-1.205	-0.259	0.000
H4	-1.996	0.340	0.000
H5	2.142	0.155	0.000
H6	1.134	-1.029	0.891
H7	1.134	-1.029	-0.891
H8	0.043	1.233	0.892
H9	0.043	1.233	-0.892

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5392	2.3975	3.2678	1.0980	1.0967	1.0967	2.1784	2.1784
C2	1.5392		1.4713	2.0109	2.1845	2.1649	2.1649	1.1027	1.1027
O3	2.3975	1.4713		0.9921	3.3717	2.6184	2.6184	2.1396	2.1396
H4	3.2678	2.0109	0.9921		4.1415	3.5303	3.5303	2.3982	2.3982
H5	1.0980	2.1845	3.3717	4.1415		1.7917	1.7917	2.5216	2.5216
H6	1.0967	2.1649	2.6184	3.5303	1.7917		1.7811	2.5108	3.0792
H7	1.0967	2.1649	2.6184	3.5303	1.7917	1.7811		3.0792	2.5108
H8	2.1784	1.1027	2.1396	2.3982	2.5216	2.5108	3.0792		1.7841
H9	2.1784	1.1027	2.1396	2.3982	2.5216	3.0792	2.5108	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.553	C1	C2	H8	109.993
C1	C2	H9	109.993	C2	C1	H5	110.746
C2	C1	H6	109.290	C2	C1	H7	109.290
C2	O3	H4	107.848	O3	C2	H8	111.653
O3	C2	H9	111.653	H5	C1	H6	109.447
H5	C1	H7	109.447	H6	C1	H7	108.586
H8	C2	H9	107.994

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)