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	hartrees
Energy at 0K	-154.749094
Energy at 298.15K	-154.755761
HF Energy	-154.149171
Nuclear repulsion energy	82.044498

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'	3869	3682	35.91	93.21	0.24	0.38
2	A'	3180	3026	18.73	51.43	0.75	0.86
3	A'	3089	2939	12.30	148.65	0.01	0.01
4	A'	3049	2901	57.47	125.89	0.08	0.15
5	A'	1545	1470	1.32	3.15	0.71	0.83
6	A'	1517	1443	2.51	10.00	0.75	0.86
7	A'	1467	1396	11.56	3.24	0.34	0.50
8	A'	1409	1340	2.19	0.08	0.41	0.58
9	A'	1278	1216	63.63	1.95	0.72	0.84
10	A'	1124	1070	37.89	5.51	0.54	0.70
11	A'	1057	1005	46.37	5.02	0.14	0.24
12	A'	915	870	12.55	5.24	0.26	0.41
13	A'	417	396	10.73	0.28	0.66	0.80
14	A"	3185	3031	21.19	37.34	0.75	0.86
15	A"	3091	2941	41.01	85.70	0.75	0.86
16	A"	1498	1425	5.62	7.22	0.75	0.86
17	A"	1316	1252	0.01	6.79	0.75	0.86
18	A"	1190	1132	3.37	0.78	0.75	0.86
19	A"	823	783	0.04	0.09	0.75	0.86
20	A"	292	278	75.09	1.73	0.75	0.86
21	A"	241	229	43.04	0.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.169	-0.400	0.000
C2	0.000	0.557	0.000
O3	-1.191	-0.224	0.000
H4	-1.941	0.375	0.000
H5	2.110	0.148	0.000
H6	1.134	-1.034	0.882
H7	1.134	-1.034	-0.882
H8	0.040	1.199	0.883
H9	0.040	1.199	-0.883

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5102	2.3665	3.2048	1.0884	1.0875	1.0875	2.1472	2.1472
C2	1.5102		1.4243	1.9493	2.1488	2.1439	2.1439	1.0930	1.0930
O3	2.3665	1.4243		0.9599	3.3216	2.6156	2.6156	2.0788	2.0788
H4	3.2048	1.9493	0.9599		4.0568	3.4958	3.4958	2.3199	2.3199
H5	1.0884	2.1488	3.3216	4.0568		1.7686	1.7686	2.4837	2.4837
H6	1.0875	2.1439	2.6156	3.4958	1.7686		1.7648	2.4869	3.0501
H7	1.0875	2.1439	2.6156	3.4958	1.7686	1.7648		3.0501	2.4869
H8	2.1472	1.0930	2.0788	2.3199	2.4837	2.4869	3.0501		1.7669
H9	2.1472	1.0930	2.0788	2.3199	2.4837	3.0501	2.4869	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.465	C1	C2	H8	110.111
C1	C2	H9	110.111	C2	C1	H5	110.516
C2	C1	H6	110.169	C2	C1	H7	110.169
C2	O3	H4	108.100	O3	C2	H8	110.653
O3	C2	H9	110.653	H5	C1	H6	108.736
H5	C1	H7	108.736	H6	C1	H7	108.463
H8	C2	H9	107.860

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)