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	hartrees
Energy at 0K	-154.787073
Energy at 298.15K	-154.793737
HF Energy	-154.145589
Nuclear repulsion energy	81.900313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3879	3733	29.44
2	A'	3134	3016	25.90
3	A'	3058	2943	14.25
4	A'	3022	2908	57.40
5	A'	1552	1493	1.47
6	A'	1524	1467	2.33
7	A'	1476	1420	12.06
8	A'	1423	1369	0.93
9	A'	1290	1241	69.03
10	A'	1128	1086	35.25
11	A'	1061	1021	46.33
12	A'	917	882	11.17
13	A'	418	402	10.56
14	A"	3139	3021	29.03
15	A"	3054	2939	38.32
16	A"	1507	1450	5.20
17	A"	1318	1269	0.00
18	A"	1197	1152	3.03
19	A"	826	795	0.04
20	A"	282	271	72.32
21	A"	236	227	41.68

Atom	x (Å)	y (Å)	z (Å)
C1	1.170	-0.404	0.000
C2	0.000	0.556	0.000
O3	-1.192	-0.220	0.000
H4	-1.942	0.377	0.000
H5	2.111	0.148	0.000
H6	1.138	-1.041	0.884
H7	1.138	-1.041	-0.884
H8	0.037	1.200	0.886
H9	0.037	1.200	-0.886

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5132	2.3689	3.2080	1.0910	1.0905	1.0905	2.1535	2.1535
C2	1.5132		1.4227	1.9502	2.1502	2.1511	2.1511	1.0953	1.0953
O3	2.3689	1.4227		0.9584	3.3236	2.6236	2.6236	2.0765	2.0765
H4	3.2080	1.9502	0.9584		4.0594	3.5036	3.5036	2.3192	2.3192
H5	1.0910	2.1502	3.3236	4.0594		1.7727	1.7727	2.4883	2.4883
H6	1.0905	2.1511	2.6236	3.5036	1.7727		1.7688	2.4961	3.0601
H7	1.0905	2.1511	2.6236	3.5036	1.7727	1.7688		3.0601	2.4961
H8	2.1535	1.0953	2.0765	2.3192	2.4883	2.4961	3.0601		1.7715
H9	2.1535	1.0953	2.0765	2.3192	2.4883	3.0601	2.4961	1.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.542	C1	C2	H8	110.264
C1	C2	H9	110.264	C2	C1	H5	110.261
C2	C1	H6	110.364	C2	C1	H7	110.364
C2	O3	H4	108.400	O3	C2	H8	110.427
O3	C2	H9	110.427	H5	C1	H6	108.704
H5	C1	H7	108.704	H6	C1	H7	108.390
H8	C2	H9	107.929

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: QCISD/aug-cc-pVTZ

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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)