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	hartrees
Energy at 0K	-153.044942
Energy at 298.15K	-153.049059
Nuclear repulsion energy	70.544768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3693	3648	31.88
2	A'	3187	3148	2.50
3	A'	3109	3070	4.44
4	A'	3077	3040	7.04
5	A'	1689	1668	178.04
6	A'	1373	1356	13.34
7	A'	1328	1312	3.42
8	A'	1273	1257	6.13
9	A'	1115	1101	188.22
10	A'	931	919	1.83
11	A'	474	468	13.89
12	A"	954	942	40.62
13	A"	770	761	83.83
14	A"	700	691	1.21
15	A"	505	499	100.33

Atom	x (Å)	y (Å)
C1	1.204	-0.125
C2	0.000	0.438
O3	-1.187	-0.192
H4	1.335	-1.211
H5	2.099	0.496
H6	-0.140	1.523
H7	-1.025	-1.153

	C1	C2	O3	H4	H5	H6	H7
C1		1.3290	2.3920	1.0947	1.0891	2.1266	2.4554
C2	1.3290		1.3433	2.1219	2.1002	1.0949	1.8925
O3	2.3920	1.3433		2.7206	3.3574	2.0094	0.9749
H4	1.0947	2.1219	2.7206		1.8703	3.1074	2.3615
H5	1.0891	2.1002	3.3574	1.8703		2.4638	3.5331
H6	2.1266	1.0949	2.0094	3.1074	2.4638		2.8192
H7	2.4554	1.8925	0.9749	2.3615	3.5331	2.8192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.046	C1	C2	H6	122.362
C2	C1	H4	121.907	C2	C1	H5	120.254
C2	O3	H7	108.392	O3	C2	H6	110.592
H4	C1	H5	117.838

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: LSDA/6-311G**

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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Number	Element	Mulliken
1	C	-0.375
2	C	-0.006
3	O	-0.294
4	H	0.126
5	H	0.145
6	H	0.149
7	H	0.256

	x	y	z	Total
	0.349	-0.900	0.000	0.966
CHELPG
AIM
ESP

	x	y	z
x	5.475	-0.281	0.000
y	-0.281	4.180	0.000
z	0.000	0.000	2.197

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: LSDA/6-311G**

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)