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	hartrees
Energy at 0K	-45.153214
Energy at 298.15K	-45.158986
HF Energy	-45.153214
Nuclear repulsion energy	68.551622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3800	3800	12.16
2	A'	3163	3163	30.32
3	A'	3066	3066	58.14
4	A'	1541	1541	2.53
5	A'	1509	1509	8.00
6	A'	1455	1455	0.31
7	A'	1317	1317	10.17
8	A'	1232	1232	37.16
9	A'	1043	1043	94.91
10	A'	1040	1040	16.67
11	A'	745	745	102.32
12	A'	375	375	2.86
13	A'	239	239	16.10
14	A"	3256	3256	21.38
15	A"	3130	3130	64.74
16	A"	1304	1304	0.13
17	A"	1200	1200	1.22
18	A"	1059	1059	2.46
19	A"	822	822	2.26
20	A"	195	195	198.74
21	A"	113	113	28.47

Atom	x (Å)	y (Å)	z (Å)
C1	1.013	-0.528	0.000
C2	0.000	0.628	0.000
Cl3	-1.740	-0.077	0.000
O4	2.315	0.132	0.000
H5	0.881	-1.153	0.899
H6	0.881	-1.153	-0.899
H7	0.089	1.241	0.901
H8	0.089	1.241	-0.901
H9	3.045	-0.518	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5368	2.7898	1.4604	1.1028	1.1028	2.1899	2.1899	2.0321
C2	1.5368		1.8776	2.3678	2.1802	2.1802	1.0938	1.0938	3.2535
Cl3	2.7898	1.8776		4.0611	2.9722	2.9722	2.4285	2.4285	4.8056
O4	1.4604	2.3678	4.0611		2.1256	2.1256	2.6452	2.6452	0.9775
H5	1.1028	2.1802	2.9722	2.1256		1.7986	2.5212	3.0981	2.4281
H6	1.1028	2.1802	2.9722	2.1256	1.7986		3.0981	2.5212	2.4281
H7	2.1899	1.0938	2.4285	2.6452	2.5212	3.0981		1.8021	3.5558
H8	2.1899	1.0938	2.4285	2.6452	3.0981	2.5212	1.8021		3.5558
H9	2.0321	3.2535	4.8056	0.9775	2.4281	2.4281	3.5558	3.5558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.182	C1	C2	H7	111.599
C1	C2	H8	111.599	C1	O4	H9	111.394
C2	C1	O4	104.344	C2	C1	H5	110.291
C2	C1	H6	110.291	Cl3	C2	H7	106.635
Cl3	C2	H8	106.635	O4	C1	H5	111.289
O4	C1	H6	111.289	H5	C1	H6	109.265
H7	C2	H8	110.929

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

using model chemistry: wB97X-D/CEP-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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Number	Element	Mulliken
1	C	-0.158
2	C	-0.343
3	Cl	-0.111
4	O	-0.470
5	H	0.157
6	H	0.157
7	H	0.209
8	H	0.209
9	H	0.351

	x	y	z	Total
	2.319	-1.271	0.000	2.644
CHELPG
AIM
ESP

	x	y	z
x	7.386	0.665	0.000
y	0.665	4.136	0.000
z	0.000	0.000	3.120

<r²>	99.711
(<r²>)^1/2	9.986

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

using model chemistry: wB97X-D/CEP-31G

States and conformations

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