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	hartrees
Energy at 0K	-154.611864
Energy at 298.15K	-154.618568
HF Energy	-154.091241
Nuclear repulsion energy	81.488949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3863	3706	21.58
2	A'	3154	3026	28.94
3	A'	3066	2942	15.98
4	A'	3004	2882	71.42
5	A'	1535	1473	2.85
6	A'	1503	1442	3.17
7	A'	1485	1425	11.36
8	A'	1404	1347	0.58
9	A'	1301	1248	86.46
10	A'	1142	1096	33.00
11	A'	1063	1020	33.38
12	A'	921	884	10.43
13	A'	416	399	10.10
14	A"	3158	3030	30.85
15	A"	3037	2914	73.46
16	A"	1481	1421	4.18
17	A"	1306	1253	0.01
18	A"	1192	1143	4.89
19	A"	822	789	0.09
20	A"	300	288	86.58
21	A"	255	245	30.73

Atom	x (Å)	y (Å)	z (Å)
C1	1.169	-0.418	0.000
C2	0.000	0.558	0.000
O3	-1.198	-0.210	0.000
H4	-1.933	0.415	0.000
H5	2.132	0.124	0.000
H6	1.125	-1.064	0.895
H7	1.125	-1.064	-0.895
H8	0.058	1.214	0.895
H9	0.058	1.214	-0.895

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5230	2.3762	3.2120	1.1048	1.1044	1.1044	2.1681	2.1681
C2	1.5230		1.4228	1.9381	2.1756	2.1669	2.1669	1.1115	1.1115
O3	2.3762	1.4228		0.9649	3.3464	2.6314	2.6314	2.0994	2.0994
H4	3.2120	1.9381	0.9649		4.0752	3.5124	3.5124	2.3246	2.3246
H5	1.1048	2.1756	3.3464	4.0752		1.7960	1.7960	2.5081	2.5081
H6	1.1044	2.1669	2.6314	3.5124	1.7960		1.7897	2.5155	3.0873
H7	1.1044	2.1669	2.6314	3.5124	1.7960	1.7897		3.0873	2.5155
H8	2.1681	1.1115	2.0994	2.3246	2.5081	2.5155	3.0873		1.7899
H9	2.1681	1.1115	2.0994	2.3246	2.5081	3.0873	2.5155	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.486	C1	C2	H8	109.779
C1	C2	H9	109.779	C2	C1	H5	110.765
C2	C1	H6	110.107	C2	C1	H7	110.107
C2	O3	H4	106.957	O3	C2	H8	111.272
O3	C2	H9	111.272	H5	C1	H6	108.779
H5	C1	H7	108.779	H6	C1	H7	108.245
H8	C2	H9	107.257

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)