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	hartrees
Energy at 0K	-30.397101
Energy at 298.15K	-30.403711
HF Energy	-30.093581
Nuclear repulsion energy	48.014773

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'	3631	3544	7.83	120.18	0.30	0.46
2	A'	3085	3011	41.78	56.25	0.74	0.85
3	A'	2983	2912	22.07	200.66	0.02	0.03
4	A'	2966	2895	71.30	60.57	0.23	0.38
5	A'	1548	1511	0.42	2.83	0.75	0.85
6	A'	1523	1487	5.64	22.22	0.74	0.85
7	A'	1462	1427	18.37	5.78	0.51	0.67
8	A'	1435	1400	3.42	1.20	0.59	0.74
9	A'	1252	1222	54.02	9.27	0.64	0.78
10	A'	1076	1050	0.58	8.93	0.44	0.61
11	A'	1024	999	71.49	6.09	0.36	0.53
12	A'	868	847	27.95	10.81	0.27	0.42
13	A'	397	388	16.19	0.43	0.61	0.76
14	A"	3106	3031	49.65	36.71	0.75	0.86
15	A"	3031	2959	56.08	93.41	0.75	0.86
16	A"	1507	1471	5.87	12.56	0.75	0.86
17	A"	1284	1253	0.65	12.39	0.75	0.86
18	A"	1167	1139	3.56	7.13	0.75	0.86
19	A"	824	804	0.00	0.03	0.75	0.86
20	A"	288	281	119.52	4.41	0.75	0.86
21	A"	225	219	65.52	1.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.211	-0.371	0.000
C2	0.000	0.588	0.000
O3	-1.219	-0.278	0.000
H4	-2.035	0.272	0.000
H5	2.152	0.206	0.000
H6	1.184	-1.010	0.896
H7	1.184	-1.010	-0.896
H8	-0.000	1.228	0.901
H9	-0.000	1.228	-0.901

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5448	2.4324	3.3095	1.1037	1.1007	1.1007	2.1991	2.1991
C2	1.5448		1.4953	2.0596	2.1860	2.1813	2.1813	1.1056	1.1056
O3	2.4324	1.4953		0.9837	3.4061	2.6674	2.6674	2.1369	2.1369
H4	3.3095	2.0596	0.9837		4.1880	3.5790	3.5790	2.4226	2.4226
H5	1.1037	2.1860	3.4061	4.1880		1.7939	1.7939	2.5475	2.5475
H6	1.1007	2.1813	2.6674	3.5790	1.7939		1.7911	2.5321	3.1049
H7	1.1007	2.1813	2.6674	3.5790	1.7939	1.7911		3.1049	2.5321
H8	2.1991	1.1056	2.1369	2.4226	2.5475	2.5321	3.1049		1.8029
H9	2.1991	1.1056	2.1369	2.4226	2.5475	3.1049	2.5321	1.8029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.266	C1	C2	H8	111.060
C1	C2	H9	111.060	C2	C1	H5	110.137
C2	C1	H6	109.944	C2	C1	H7	109.944
C2	O3	H4	110.671	O3	C2	H8	109.579
O3	C2	H9	109.579	H5	C1	H6	108.940
H5	C1	H7	108.940	H6	C1	H7	108.907
H8	C2	H9	109.248

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)