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	hartrees
Energy at 0K	-152.959267
Energy at 298.15K	-152.963460
Nuclear repulsion energy	69.487741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3488	3365	5.11
2	A'	3265	3150	9.94
3	A'	3213	3100	5.34
4	A'	3170	3059	5.45
5	A'	1703	1643	111.33
6	A'	1500	1448	14.48
7	A'	1392	1344	1.27
8	A'	1363	1315	10.97
9	A'	1098	1060	145.11
10	A'	966	932	34.99
11	A'	488	471	13.65
12	A"	1026	990	28.34
13	A"	876	845	105.86
14	A"	711	686	0.01
15	A"	503	486	144.14

Atom	x (Å)	y (Å)
C1	1.230	-0.070
C2	0.000	0.440
O3	-1.208	-0.243
H4	1.419	-1.139
H5	2.092	0.583
H6	-0.185	1.507
H7	-1.041	-1.224

	C1	C2	O3	H4	H5	H6	H7
C1		1.3318	2.4446	1.0857	1.0815	2.1193	2.5472
C2	1.3318		1.3880	2.1232	2.0969	1.0834	1.9625
O3	2.4446	1.3880		2.7760	3.4022	2.0277	0.9950
H4	1.0857	2.1232	2.7760		1.8495	3.0949	2.4611
H5	1.0815	2.0969	3.4022	1.8495		2.4573	3.6166
H6	2.1193	1.0834	2.0277	3.0949	2.4573		2.8623
H7	2.5472	1.9625	0.9950	2.4611	3.6166	2.8623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.996	C1	C2	H6	122.354
C2	C1	H4	122.537	C2	C1	H5	120.299
C2	O3	H7	109.783	O3	C2	H6	109.650
H4	C1	H5	117.163

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.459
2	C	0.077
3	O	-0.549
4	H	0.172
5	H	0.190
6	H	0.216
7	H	0.353

	x	y	z	Total
	0.625	-0.946	0.000	1.134
CHELPG
AIM
ESP

	x	y	z
x	4.875	-0.119	0.000
y	-0.119	3.641	0.000
z	0.000	0.000	1.036

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)