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	hartrees
Energy at 0K	-154.814151
Energy at 298.15K	-154.820815
HF Energy	-154.145810
Nuclear repulsion energy	82.199362

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'	3863	3863	37.23	98.71	0.18	0.31
2	A'	3171	3171	17.63	48.07	0.75	0.86
3	A'	3094	3094	12.09	171.62	0.00	0.01
4	A'	3053	3053	55.82	133.63	0.06	0.12
5	A'	1552	1552	1.52	2.47	0.75	0.86
6	A'	1527	1527	2.52	5.66	0.75	0.86
7	A'	1467	1467	12.71	1.50	0.38	0.55
8	A'	1414	1414	2.20	0.02	0.27	0.43
9	A'	1276	1276	60.45	0.76	0.74	0.85
10	A'	1121	1121	38.05	5.94	0.41	0.58
11	A'	1060	1060	48.47	5.42	0.12	0.22
12	A'	917	917	13.98	5.90	0.15	0.26
13	A'	421	421	10.91	0.31	0.58	0.73
14	A"	3176	3176	20.10	32.82	0.75	0.86
15	A"	3090	3090	32.81	82.19	0.75	0.86
16	A"	1510	1510	6.21	4.14	0.75	0.86
17	A"	1323	1323	0.01	3.07	0.75	0.86
18	A"	1197	1197	2.81	0.38	0.75	0.86
19	A"	827	827	0.13	0.13	0.75	0.86
20	A"	291	291	71.47	0.83	0.75	0.86
21	A"	238	238	43.45	0.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.167	-0.394	0.000
C2	0.000	0.556	0.000
O3	-1.187	-0.229	0.000
H4	-1.943	0.364	0.000
H5	2.103	0.158	0.000
H6	1.134	-1.027	0.882
H7	1.134	-1.027	-0.882
H8	0.034	1.195	0.884
H9	0.034	1.195	-0.884

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5047	2.3601	3.2005	1.0870	1.0861	1.0861	2.1422	2.1422
C2	1.5047		1.4234	1.9521	2.1407	2.1378	2.1378	1.0912	1.0912
O3	2.3601	1.4234		0.9599	3.3134	2.6085	2.6085	2.0735	2.0735
H4	3.2005	1.9521	0.9599		4.0512	3.4897	3.4897	2.3192	2.3192
H5	1.0870	2.1407	3.3134	4.0512		1.7667	1.7667	2.4778	2.4778
H6	1.0861	2.1378	2.6085	3.4897	1.7667		1.7637	2.4791	3.0439
H7	1.0861	2.1378	2.6085	3.4897	1.7667	1.7637		3.0439	2.4791
H8	2.1422	1.0912	2.0735	2.3192	2.4778	2.4791	3.0439		1.7686
H9	2.1422	1.0912	2.0735	2.3192	2.4778	3.0439	2.4791	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.387	C1	C2	H8	110.202
C1	C2	H9	110.202	C2	C1	H5	110.338
C2	C1	H6	110.155	C2	C1	H7	110.155
C2	O3	H4	108.422	O3	C2	H8	110.397
O3	C2	H9	110.397	H5	C1	H6	108.786
H5	C1	H7	108.786	H6	C1	H7	108.577
H8	C2	H9	108.265

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2=FULL/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)