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	hartrees
Energy at 0K	-153.827169
Energy at 298.15K	-153.831323
HF Energy	-153.827169
Nuclear repulsion energy	70.223709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3764	3632	23.16
2	A'	3256	3142	10.58
3	A'	3195	3083	7.38
4	A'	3154	3044	7.17
5	A'	1708	1649	149.14
6	A'	1456	1405	14.71
7	A'	1371	1323	2.14
8	A'	1330	1283	5.12
9	A'	1119	1080	166.39
10	A'	961	927	8.06
11	A'	476	459	12.58
12	A"	1009	974	26.16
13	A"	813	785	51.15
14	A"	719	694	0.16
15	A"	492	475	99.66

Atom	x (Å)	y (Å)
C1	1.217	-0.112
C2	0.000	0.437
O3	-1.197	-0.204
H4	1.371	-1.187
H5	2.098	0.517
H6	-0.156	1.511
H7	-1.039	-1.156

	C1	C2	O3	H4	H5	H6	H7
C1		1.3348	2.4156	1.0863	1.0824	2.1259	2.4857
C2	1.3348		1.3577	2.1251	2.0998	1.0858	1.9016
O3	2.4156	1.3577		2.7496	3.3732	2.0063	0.9652
H4	1.0863	2.1251	2.7496		1.8525	3.1005	2.4098
H5	1.0824	2.0998	3.3732	1.8525		2.4641	3.5551
H6	2.1259	1.0858	2.0063	3.1005	2.4641		2.8096
H7	2.4857	1.9016	0.9652	2.4098	3.5551	2.8096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.578	C1	C2	H6	122.531
C2	C1	H4	122.411	C2	C1	H5	120.257
C2	O3	H7	108.724	O3	C2	H6	109.891
H4	C1	H5	117.333

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)