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	hartrees
Energy at 0K	-152.364454
Energy at 298.15K	-152.368587
Nuclear repulsion energy	68.913508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3492	3356	3.95
2	A'	3232	3107	11.47
3	A'	3191	3067	4.11
4	A'	3138	3016	4.87
5	A'	1688	1622	67.68
6	A'	1510	1452	14.71
7	A'	1399	1344	5.40
8	A'	1367	1314	8.75
9	A'	1099	1057	117.18
10	A'	946	909	46.67
11	A'	487	468	14.06
12	A"	1006	966	31.23
13	A"	872	839	79.42
14	A"	697	670	0.13
15	A"	456	438	155.88

Atom	x (Å)	y (Å)
C1	1.239	-0.063
C2	0.000	0.450
O3	-1.218	-0.258
H4	1.432	-1.136
H5	2.105	0.592
H6	-0.197	1.519
H7	-1.030	-1.233

	C1	C2	O3	H4	H5	H6	H7
C1		1.3412	2.4651	1.0901	1.0860	2.1365	2.5530
C2	1.3412		1.4088	2.1370	2.1098	1.0869	1.9734
O3	2.4651	1.4088		2.7921	3.4302	2.0493	0.9938
H4	1.0901	2.1370	2.7921		1.8549	3.1148	2.4639
H5	1.0860	2.1098	3.4302	1.8549		2.4811	3.6278
H6	2.1365	1.0869	2.0493	3.1148	2.4811		2.8757
H7	2.5530	1.9734	0.9938	2.4639	3.6278	2.8757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.357	C1	C2	H6	122.918
C2	C1	H4	122.687	C2	C1	H5	120.371
C2	O3	H7	109.223	O3	C2	H6	109.725
H4	C1	H5	116.942

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: QCISD/3-21G*

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 CH2CHOH (ethenol)

using model chemistry: QCISD/3-21G*

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)