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	hartrees
Energy at 0K	-154.528955
Energy at 298.15K	-154.535703
HF Energy	-154.074378
Nuclear repulsion energy	81.839521

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'	3781	3563	22.05	96.56	0.30	0.47
2	A'	3211	3025	21.01	54.11	0.75	0.86
3	A'	3119	2939	11.27	98.56	0.02	0.03
4	A'	3061	2884	59.85	96.20	0.12	0.22
5	A'	1599	1506	2.01	5.48	0.68	0.81
6	A'	1567	1476	3.56	22.80	0.75	0.86
7	A'	1511	1423	16.93	5.94	0.61	0.76
8	A'	1456	1372	0.84	0.76	0.60	0.75
9	A'	1312	1236	84.63	6.56	0.72	0.84
10	A'	1148	1081	22.18	5.94	0.56	0.72
11	A'	1079	1017	50.60	3.02	0.18	0.31
12	A'	938	884	10.79	6.01	0.36	0.53
13	A'	427	402	12.79	0.25	0.65	0.78
14	A"	3221	3035	21.87	44.20	0.75	0.86
15	A"	3103	2924	62.71	77.84	0.75	0.86
16	A"	1550	1460	5.06	16.73	0.75	0.86
17	A"	1338	1260	0.18	13.69	0.75	0.86
18	A"	1223	1153	4.75	3.56	0.75	0.86
19	A"	848	799	0.01	0.04	0.75	0.86
20	A"	314	296	106.52	3.97	0.75	0.86
21	A"	265	250	36.34	0.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.168	-0.400	0.000
C2	0.000	0.560	0.000
O3	-1.189	-0.229	0.000
H4	-1.947	0.379	0.000
H5	2.116	0.145	0.000
H6	1.128	-1.037	0.886
H7	1.128	-1.037	-0.886
H8	0.041	1.208	0.887
H9	0.041	1.208	-0.887

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5119	2.3634	3.2105	1.0933	1.0917	1.0917	2.1545	2.1545
C2	1.5119		1.4271	1.9550	2.1563	2.1464	2.1464	1.0991	1.0991
O3	2.3634	1.4271		0.9712	3.3262	2.6088	2.6088	2.0895	2.0895
H4	3.2105	1.9550	0.9712		4.0693	3.4987	3.4987	2.3293	2.3293
H5	1.0933	2.1563	3.3262	4.0693		1.7770	1.7770	2.4942	2.4942
H6	1.0917	2.1464	2.6088	3.4987	1.7770		1.7713	2.4942	3.0598
H7	1.0917	2.1464	2.6088	3.4987	1.7770	1.7713		3.0598	2.4942
H8	2.1545	1.0991	2.0895	2.3293	2.4942	2.4942	3.0598		1.7735
H9	2.1545	1.0991	2.0895	2.3293	2.4942	3.0598	2.4942	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.019	C1	C2	H8	110.202
C1	C2	H9	110.202	C2	C1	H5	110.699
C2	C1	H6	110.003	C2	C1	H7	110.003
C2	O3	H4	107.685	O3	C2	H8	110.940
O3	C2	H9	110.940	H5	C1	H6	108.826
H5	C1	H7	108.826	H6	C1	H7	108.435
H8	C2	H9	107.562

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)