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	hartrees
Energy at 0K	-154.595132
Energy at 298.15K	-154.601796
HF Energy	-154.094938
Nuclear repulsion energy	81.868054

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'	3886	3649	32.00	90.90	0.24	0.39
2	A'	3229	3032	22.32	56.08	0.75	0.86
3	A'	3131	2941	14.63	133.91	0.01	0.02
4	A'	3093	2905	64.90	104.45	0.11	0.19
5	A'	1579	1483	1.51	4.66	0.74	0.85
6	A'	1550	1456	3.33	11.46	0.72	0.84
7	A'	1489	1398	20.54	3.75	0.42	0.59
8	A'	1441	1353	0.82	0.20	0.39	0.56
9	A'	1280	1202	64.88	3.47	0.68	0.81
10	A'	1125	1056	30.04	7.19	0.51	0.68
11	A'	1068	1003	56.51	3.92	0.22	0.36
12	A'	926	869	17.08	6.51	0.25	0.41
13	A'	424	398	12.64	0.32	0.51	0.68
14	A"	3241	3044	23.59	40.64	0.75	0.86
15	A"	3144	2953	45.94	91.33	0.75	0.86
16	A"	1531	1438	6.35	9.45	0.75	0.86
17	A"	1328	1247	0.11	8.24	0.75	0.86
18	A"	1210	1136	3.33	1.07	0.75	0.86
19	A"	839	788	0.00	0.13	0.75	0.86
20	A"	288	270	52.42	0.81	0.75	0.86
21	A"	230	216	97.33	0.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.173	-0.391	0.000
C2	0.000	0.560	0.000
O3	-1.192	-0.235	0.000
H4	-1.957	0.352	0.000
H5	2.110	0.164	0.000
H6	1.141	-1.024	0.883
H7	1.141	-1.024	-0.883
H8	0.029	1.200	0.885
H9	0.029	1.200	-0.885

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5100	2.3700	3.2172	1.0890	1.0874	1.0874	2.1506	2.1506
C2	1.5100		1.4325	1.9680	2.1473	2.1430	2.1430	1.0931	1.0931
O3	2.3700	1.4325		0.9647	3.3261	2.6165	2.6165	2.0819	2.0819
H4	3.2172	1.9680	0.9647		4.0719	3.5036	3.5036	2.3339	2.3339
H5	1.0890	2.1473	3.3261	4.0719		1.7694	1.7694	2.4883	2.4883
H6	1.0874	2.1430	2.6165	3.5036	1.7694		1.7664	2.4874	3.0520
H7	1.0874	2.1430	2.6165	3.5036	1.7694	1.7664		3.0520	2.4874
H8	2.1506	1.0931	2.0819	2.3339	2.4883	2.4874	3.0520		1.7706
H9	2.1506	1.0931	2.0819	2.3339	2.4883	3.0520	2.4874	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.275	C1	C2	H8	110.392
C1	C2	H9	110.392	C2	C1	H5	110.371
C2	C1	H6	110.127	C2	C1	H7	110.127
C2	O3	H4	108.791	O3	C2	H8	110.312
O3	C2	H9	110.312	H5	C1	H6	108.775
H5	C1	H7	108.775	H6	C1	H7	108.622
H8	C2	H9	108.171

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)