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	hartrees
Energy at 0K	-613.911095
Energy at 298.15K	-613.917030
HF Energy	-613.084093
Nuclear repulsion energy	159.603271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3907	3739	50.31
2	A'	3127	2993	12.71
3	A'	3053	2922	28.26
4	A'	1554	1487	3.02
5	A'	1526	1460	4.36
6	A'	1480	1416	2.21
7	A'	1328	1271	1.31
8	A'	1255	1201	49.66
9	A'	1109	1061	97.34
10	A'	1050	1005	6.00
11	A'	807	773	60.91
12	A'	398	381	2.72
13	A'	251	240	9.07
14	A"	3191	3054	4.34
15	A"	3097	2964	22.13
16	A"	1329	1272	0.04
17	A"	1232	1179	0.66
18	A"	1084	1037	1.62
19	A"	811	776	0.05
20	A"	216	207	106.53
21	A"	127	121	19.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.959	-0.557	0.000
C2	0.000	0.615	0.000
Cl3	-1.683	0.014	0.000
O4	2.263	0.001	0.000
H5	0.786	-1.171	0.887
H6	0.786	-1.171	-0.887
H7	0.134	1.226	0.888
H8	0.134	1.226	-0.888
H9	2.903	-0.711	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5144	2.7032	1.4181	1.0928	1.0928	2.1556	2.1556	1.9501
C2	1.5144		1.7866	2.3449	2.1436	2.1436	1.0858	1.0858	3.1917
Cl3	2.7032	1.7866		3.9459	2.8791	2.8791	2.3569	2.3569	4.6431
O4	1.4181	2.3449	3.9459		2.0837	2.0837	2.6117	2.6117	0.9574
H5	1.0928	2.1436	2.8791	2.0837		1.7743	2.4840	3.0529	2.3411
H6	1.0928	2.1436	2.8791	2.0837	1.7743		3.0529	2.4840	2.3411
H7	2.1556	1.0858	2.3569	2.6117	2.4840	3.0529		1.7753	3.4939
H8	2.1556	1.0858	2.3569	2.6117	3.0529	2.4840	1.7753		3.4939
H9	1.9501	3.1917	4.6431	0.9574	2.3411	2.3411	3.4939	3.4939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.679	C1	C2	H7	110.925
C1	C2	H8	110.925	C1	O4	H9	108.798
C2	C1	O4	106.141	C2	C1	H5	109.548
C2	C1	H6	109.548	Cl3	C2	H7	107.768
Cl3	C2	H8	107.768	O4	C1	H5	111.513
O4	C1	H6	111.513	H5	C1	H6	108.542
H7	C2	H8	109.670

All results from a given calculation for CH₂ClCH₂OH (2-Chloroethanol)

using model chemistry: CCD/aug-cc-pVTZ

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 CH2ClCH2OH (2-Chloroethanol)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂ClCH₂OH (2-Chloroethanol)