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	hartrees
Energy at 0K	-154.624029
Energy at 298.15K	-154.630702
HF Energy	-154.124894
Nuclear repulsion energy	81.491820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3828	3683	32.74
2	A'	3158	3038	20.39
3	A'	3052	2937	13.30
4	A'	3017	2902	60.76
5	A'	1510	1453	0.89
6	A'	1485	1429	2.39
7	A'	1444	1389	12.87
8	A'	1386	1333	0.95
9	A'	1268	1220	62.49
10	A'	1105	1064	49.38
11	A'	1057	1017	32.34
12	A'	908	874	16.78
13	A'	418	402	10.32
14	A"	3162	3042	23.51
15	A"	3069	2952	36.78
16	A"	1471	1415	5.22
17	A"	1290	1241	0.01
18	A"	1163	1119	3.02
19	A"	804	774	0.03
20	A"	300	288	85.41
21	A"	239	230	28.90

Atom	x (Å)	y (Å)	z (Å)
C1	1.171	-0.398	0.000
C2	0.000	0.563	0.000
O3	-1.193	-0.231	0.000
H4	-1.953	0.370	0.000
H5	2.127	0.151	0.000
H6	1.133	-1.043	0.893
H7	1.133	-1.043	-0.893
H8	0.036	1.213	0.896
H9	0.036	1.213	-0.896

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5155	2.3700	3.2172	1.1021	1.1022	1.1022	2.1652	2.1652
C2	1.5155		1.4330	1.9623	2.1669	2.1589	2.1589	1.1073	1.1073
O3	2.3700	1.4330		0.9690	3.3417	2.6200	2.6200	2.0971	2.0971
H4	3.2172	1.9623	0.9690		4.0859	3.5091	3.5091	2.3386	2.3386
H5	1.1021	2.1669	3.3417	4.0859		1.7919	1.7919	2.5110	2.5110
H6	1.1022	2.1589	2.6200	3.5091	1.7919		1.7865	2.5083	3.0811
H7	1.1022	2.1589	2.6200	3.5091	1.7919	1.7865		3.0811	2.5083
H8	2.1652	1.1073	2.0971	2.3386	2.5110	2.5083	3.0811		1.7920
H9	2.1652	1.1073	2.0971	2.3386	2.5110	3.0811	2.5083	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.954	C1	C2	H8	110.312
C1	C2	H9	110.312	C2	C1	H5	110.760
C2	C1	H6	110.116	C2	C1	H7	110.116
C2	O3	H4	108.005	O3	C2	H8	110.626
O3	C2	H9	110.626	H5	C1	H6	108.761
H5	C1	H7	108.761	H6	C1	H7	108.269
H8	C2	H9	108.028

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2/Sadlej_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/Sadlej_pVTZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)