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	hartrees
Energy at 0K	-614.530486
Energy at 298.15K	-614.536584
HF Energy	-614.530486
Nuclear repulsion energy	159.437858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3912	3718	44.30
2	A'	3131	2976	13.15
3	A'	3048	2897	35.44
4	A'	1543	1467	2.51
5	A'	1506	1432	5.72
6	A'	1470	1397	2.95
7	A'	1313	1248	2.83
8	A'	1244	1182	63.93
9	A'	1140	1084	83.60
10	A'	1049	997	17.61
11	A'	810	770	71.04
12	A'	401	381	2.23
13	A'	253	241	9.50
14	A"	3200	3042	6.55
15	A"	3092	2939	43.10
16	A"	1308	1243	0.04
17	A"	1217	1156	1.18
18	A"	1069	1016	3.51
19	A"	799	759	0.00
20	A"	357	339	140.87
21	A"	135	128	9.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.971	-0.557	0.000
C2	0.000	0.609	0.000
Cl3	-1.686	0.008	0.000
O4	2.259	0.019	0.000
H5	0.792	-1.177	0.889
H6	0.792	-1.177	-0.889
H7	0.139	1.223	0.890
H8	0.139	1.223	-0.890
H9	2.912	-0.687	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5170	2.7163	1.4113	1.0987	1.0987	2.1568	2.1568	1.9461
C2	1.5170		1.7902	2.3343	2.1466	2.1466	1.0899	1.0899	3.1876
Cl3	2.7163	1.7902		3.9451	2.8876	2.8876	2.3661	2.3661	4.6509
O4	1.4113	2.3343	3.9451		2.0912	2.0912	2.5950	2.5950	0.9625
H5	1.0987	2.1466	2.8876	2.0912		1.7786	2.4873	3.0580	2.3507
H6	1.0987	2.1466	2.8876	2.0912	1.7786		3.0580	2.4873	2.3507
H7	2.1568	1.0899	2.3661	2.5950	2.4873	3.0580		1.7794	3.4831
H8	2.1568	1.0899	2.3661	2.5950	3.0580	2.4873	1.7794		3.4831
H9	1.9461	3.1876	4.6509	0.9625	2.3507	2.3507	3.4831	3.4831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.165	C1	C2	H7	110.584
C1	C2	H8	110.584	C1	O4	H9	108.663
C2	C1	O4	105.666	C2	C1	H5	109.259
C2	C1	H6	109.259	Cl3	C2	H7	107.999
Cl3	C2	H8	107.999	O4	C1	H5	112.251
O4	C1	H6	112.251	H5	C1	H6	108.085
H7	C2	H8	109.434

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	0.039
2	C	-0.338
3	Cl	-0.079
4	O	-0.571
5	H	0.121
6	H	0.121
7	H	0.185
8	H	0.185
9	H	0.338

	x	y	z	Total
	1.918	-1.025	0.000	2.175
CHELPG
AIM
ESP

	x	y	z
x	6.840	0.193	0.000
y	0.193	4.585	0.000
z	0.000	0.000	4.115

<r²>	137.434
(<r²>)^1/2	11.723

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

using model chemistry: M06-2X/6-31G**

States and conformations

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