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	hartrees
Energy at 0K	-613.270206
Energy at 298.15K	-613.276062
HF Energy	-612.890836
Nuclear repulsion energy	154.752161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3673	3524	7.61
2	A'	3127	3001	10.21
3	A'	3022	2900	24.56
4	A'	1582	1518	1.16
5	A'	1542	1479	5.20
6	A'	1482	1422	2.25
7	A'	1332	1278	1.35
8	A'	1256	1206	55.88
9	A'	1048	1006	33.40
10	A'	1013	972	42.01
11	A'	720	691	71.48
12	A'	371	356	3.14
13	A'	244	234	13.73
14	A"	3201	3072	7.69
15	A"	3066	2942	40.21
16	A"	1334	1280	0.18
17	A"	1212	1163	1.28
18	A"	1069	1026	2.21
19	A"	824	791	0.06
20	A"	242	232	187.85
21	A"	121	116	18.74

Atom	x (Å)	y (Å)	z (Å)
C1	1.021	-0.513	0.000
C2	0.000	0.622	0.000
Cl3	-1.749	-0.100	0.000
O4	2.322	0.167	0.000
H5	0.898	-1.143	0.897
H6	0.898	-1.143	-0.897
H7	0.084	1.238	0.900
H8	0.084	1.238	-0.900
H9	3.055	-0.480	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5269	2.8002	1.4683	1.1030	1.1030	2.1804	2.1804	2.0344
C2	1.5269		1.8919	2.3667	2.1744	2.1744	1.0938	1.0938	3.2479
Cl3	2.8002	1.8919		4.0798	2.9826	2.9826	2.4409	2.4409	4.8187
O4	1.4683	2.3667	4.0798		2.1331	2.1331	2.6399	2.6399	0.9773
H5	1.1030	2.1744	2.9826	2.1331		1.7931	2.5166	3.0923	2.4286
H6	1.1030	2.1744	2.9826	2.1331	1.7931		3.0923	2.5166	2.4286
H7	2.1804	1.0938	2.4409	2.6399	2.5166	3.0923		1.8006	3.5482
H8	2.1804	1.0938	2.4409	2.6399	3.0923	2.5166	1.8006		3.5482
H9	2.0344	3.2479	4.8187	0.9773	2.4286	2.4286	3.5482	3.5482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.519	C1	C2	H7	111.539
C1	C2	H8	111.539	C1	O4	H9	110.985
C2	C1	O4	104.385	C2	C1	H5	110.509
C2	C1	H6	110.509	Cl3	C2	H7	106.601
Cl3	C2	H8	106.601	O4	C1	H5	111.325
O4	C1	H6	111.325	H5	C1	H6	108.754
H7	C2	H8	110.791

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

using model chemistry: CCD/6-31G

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/6-31G

States and conformations

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