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	hartrees
Energy at 0K	-154.582080
Energy at 298.15K	-154.588826
HF Energy	-154.089207
Nuclear repulsion energy	82.039947

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'	3902	3646	20.32	94.46	0.29	0.46
2	A'	3242	3029	22.45	52.84	0.75	0.86
3	A'	3143	2937	12.19	101.18	0.01	0.03
4	A'	3084	2881	62.53	95.56	0.12	0.21
5	A'	1596	1492	2.50	4.81	0.68	0.81
6	A'	1565	1463	2.67	22.23	0.75	0.86
7	A'	1510	1411	17.62	5.30	0.60	0.75
8	A'	1452	1357	0.16	0.68	0.62	0.76
9	A'	1303	1217	79.46	6.08	0.71	0.83
10	A'	1148	1073	23.31	5.75	0.57	0.73
11	A'	1077	1006	50.81	3.07	0.16	0.28
12	A'	938	876	11.61	5.88	0.34	0.51
13	A'	425	397	11.75	0.26	0.64	0.78
14	A"	3252	3039	23.79	43.21	0.75	0.86
15	A"	3130	2925	64.02	75.75	0.75	0.86
16	A"	1548	1447	3.89	15.89	0.75	0.86
17	A"	1340	1252	0.08	12.80	0.75	0.86
18	A"	1223	1142	4.73	3.21	0.75	0.86
19	A"	845	789	0.02	0.04	0.75	0.86
20	A"	307	287	90.99	3.62	0.75	0.86
21	A"	264	247	44.46	1.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.167	-0.401	0.000
C2	0.000	0.558	0.000
O3	-1.190	-0.226	0.000
H4	-1.939	0.380	0.000
H5	2.110	0.142	0.000
H6	1.128	-1.035	0.882
H7	1.128	-1.035	-0.882
H8	0.046	1.204	0.882
H9	0.046	1.204	-0.882

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5102	2.3633	3.2023	1.0881	1.0867	1.0867	2.1471	2.1471
C2	1.5102		1.4247	1.9471	2.1502	2.1416	2.1416	1.0944	1.0944
O3	2.3633	1.4247		0.9630	3.3200	2.6086	2.6086	2.0853	2.0853
H4	3.2023	1.9471	0.9630		4.0555	3.4906	3.4906	2.3230	2.3230
H5	1.0881	2.1502	3.3200	4.0555		1.7683	1.7683	2.4829	2.4829
H6	1.0867	2.1416	2.6086	3.4906	1.7683		1.7633	2.4864	3.0486
H7	1.0867	2.1416	2.6086	3.4906	1.7683	1.7633		3.0486	2.4864
H8	2.1471	1.0944	2.0853	2.3230	2.4829	2.4864	3.0486		1.7649
H9	2.1471	1.0944	2.0853	2.3230	2.4829	3.0486	2.4864	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.229	C1	C2	H8	110.014
C1	C2	H9	110.014	C2	C1	H5	110.645
C2	C1	H6	110.045	C2	C1	H7	110.045
C2	O3	H4	107.689	O3	C2	H8	111.064
O3	C2	H9	111.064	H5	C1	H6	108.803
H5	C1	H7	108.803	H6	C1	H7	108.449
H8	C2	H9	107.471

All results from a given calculation for CH₃CH₂OH (Ethanol)

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

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/6-31G**

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)