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	hartrees
Energy at 0K	-154.338862
Energy at 298.15K	-154.345476
HF Energy	-154.040682
Nuclear repulsion energy	79.847245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3656	3529	6.84	113.75	0.30	0.46
2	A'	3137	3028	40.10	47.38	0.74	0.85
3	A'	3036	2930	22.50	176.07	0.02	0.03
4	A'	3020	2915	74.32	65.58	0.16	0.28
5	A'	1556	1502	0.72	2.28	0.75	0.85
6	A'	1542	1489	6.05	20.27	0.74	0.85
7	A'	1467	1416	19.00	4.05	0.48	0.64
8	A'	1446	1396	1.48	0.83	0.74	0.85
9	A'	1264	1220	60.74	13.00	0.59	0.74
10	A'	1091	1053	0.14	7.77	0.39	0.56
11	A'	1024	988	67.96	6.06	0.49	0.66
12	A'	868	838	24.07	11.89	0.23	0.37
13	A'	402	388	17.55	0.43	0.62	0.76
14	A"	3155	3045	47.12	31.88	0.75	0.86
15	A"	3079	2972	59.29	67.87	0.75	0.86
16	A"	1522	1469	6.56	12.86	0.75	0.86
17	A"	1304	1259	1.07	15.52	0.75	0.86
18	A"	1179	1138	4.81	5.72	0.75	0.86
19	A"	849	820	0.92	0.23	0.75	0.86
20	A"	297	287	135.94	6.24	0.75	0.86
21	A"	229	221	59.14	1.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.208	-0.370	0.000
C2	0.000	0.589	0.000
O3	-1.216	-0.277	0.000
H4	-2.037	0.267	0.000
H5	2.152	0.205	0.000
H6	1.181	-1.012	0.896
H7	1.181	-1.012	-0.896
H8	0.003	1.232	0.901
H9	0.003	1.232	-0.901

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5424	2.4260	3.3069	1.1051	1.1024	1.1024	2.1981	2.1981
C2	1.5424		1.4930	2.0622	2.1856	2.1817	2.1817	1.1070	1.1070
O3	2.4260	1.4930		0.9848	3.4022	2.6624	2.6624	2.1388	2.1388
H4	3.3069	2.0622	0.9848		4.1890	3.5767	3.5767	2.4295	2.4295
H5	1.1051	2.1856	3.4022	4.1890		1.7962	1.7962	2.5465	2.5465
H6	1.1024	2.1817	2.6624	3.5767	1.7962		1.7916	2.5344	3.1068
H7	1.1024	2.1817	2.6624	3.5767	1.7962	1.7916		3.1068	2.5344
H8	2.1981	1.1070	2.1388	2.4295	2.5465	2.5344	3.1068		1.8024
H9	2.1981	1.1070	2.1388	2.4295	2.5465	3.1068	2.5344	1.8024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.099	C1	C2	H8	111.055
C1	C2	H9	111.055	C2	C1	H5	110.186
C2	C1	H6	110.046	C2	C1	H7	110.046
C2	O3	H4	111.000	O3	C2	H8	109.801
O3	C2	H9	109.801	H5	C1	H6	108.912
H5	C1	H7	108.912	H6	C1	H7	108.705
H8	C2	H9	108.996

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)