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	hartrees
Energy at 0K	-610.316137
Energy at 298.15K	-610.322002
HF Energy	-609.938638
Nuclear repulsion energy	154.537212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3519	3422	0.10
2	A'	3146	3059	6.64
3	A'	3033	2949	21.02
4	A'	1612	1568	1.17
5	A'	1557	1514	5.89
6	A'	1495	1453	2.01
7	A'	1324	1287	0.72
8	A'	1260	1225	60.37
9	A'	1026	997	12.26
10	A'	1006	978	39.53
11	A'	708	689	69.04
12	A'	363	353	2.68
13	A'	239	233	13.74
14	A"	3218	3129	4.45
15	A"	3069	2984	39.24
16	A"	1354	1317	0.38
17	A"	1219	1185	1.08
18	A"	1052	1023	1.93
19	A"	832	809	0.11
20	A"	255	248	155.99
21	A"	122	119	14.42

Atom	x (Å)	y (Å)	z (Å)
C1	1.031	-0.499	0.000
C2	0.000	0.632	0.000
Cl3	-1.747	-0.133	0.000
O4	2.317	0.212	0.000
H5	0.895	-1.125	0.894
H6	0.895	-1.125	-0.894
H7	0.073	1.241	0.901
H8	0.073	1.241	-0.901
H9	3.043	-0.463	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5303	2.8027	1.4698	1.0998	1.0998	2.1806	2.1806	2.0120
C2	1.5303		1.9074	2.3550	2.1645	2.1645	1.0896	1.0896	3.2339
Cl3	2.8027	1.9074		4.0795	2.9606	2.9606	2.4521	2.4521	4.8018
O4	1.4698	2.3550	4.0795		2.1473	2.1473	2.6275	2.6275	0.9914
H5	1.0998	2.1645	2.9606	2.1473		1.7883	2.5040	3.0807	2.4189
H6	1.0998	2.1645	2.9606	2.1473	1.7883		3.0807	2.5040	2.4189
H7	2.1806	1.0896	2.4521	2.6275	2.5040	3.0807		1.8012	3.5401
H8	2.1806	1.0896	2.4521	2.6275	3.0807	2.5040	1.8012		3.5401
H9	2.0120	3.2339	4.8018	0.9914	2.4189	2.4189	3.5401	3.5401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	108.735	C1	C2	H7	111.566
C1	C2	H8	111.566	C1	O4	H9	108.088
C2	C1	O4	103.413	C2	C1	H5	109.682
C2	C1	H6	109.682	Cl3	C2	H7	106.599
Cl3	C2	H8	106.599	O4	C1	H5	112.573
O4	C1	H6	112.573	H5	C1	H6	108.782
H7	C2	H8	111.486

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

using model chemistry: CCD/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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All results from a given calculation for CH2ClCH2OH (2-Chloroethanol)

using model chemistry: CCD/3-21G

States and conformations

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