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	hartrees
Energy at 0K	-44.178411
Energy at 298.15K	-44.184425
HF Energy	-44.178411
Nuclear repulsion energy	69.095696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4082	3679	42.10
2	A'	3340	3010	30.23
3	A'	3257	2936	54.78
4	A'	1670	1505	1.30
5	A'	1632	1471	9.14
6	A'	1573	1418	2.01
7	A'	1416	1276	16.93
8	A'	1307	1178	65.57
9	A'	1137	1025	134.42
10	A'	1094	986	2.09
11	A'	750	676	141.58
12	A'	393	354	1.26
13	A'	259	234	17.77
14	A"	3435	3096	23.41
15	A"	3319	2992	72.30
16	A"	1412	1273	0.01
17	A"	1299	1171	3.78
18	A"	1144	1031	2.24
19	A"	880	793	0.36
20	A"	259	233	243.15
21	A"	126	113	21.48

Atom	x (Å)	y (Å)	z (Å)
C1	1.012	-0.520	0.000
C2	0.000	0.626	0.000
Cl3	-1.733	-0.084	0.000
O4	2.300	0.135	0.000
H5	0.893	-1.138	0.886
H6	0.893	-1.138	-0.886
H7	0.079	1.232	0.890
H8	0.079	1.232	-0.890
H9	3.043	-0.468	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5288	2.7797	1.4444	1.0875	1.0875	2.1756	2.1756	2.0315
C2	1.5288		1.8727	2.3518	2.1668	2.1668	1.0797	1.0797	3.2336
Cl3	2.7797	1.8727		4.0388	2.9652	2.9652	2.4095	2.4095	4.7915
O4	1.4444	2.3518	4.0388		2.0943	2.0943	2.6326	2.6326	0.9566
H5	1.0875	2.1668	2.9652	2.0943		1.7728	2.5065	3.0721	2.4206
H6	1.0875	2.1668	2.9652	2.0943	1.7728		3.0721	2.5065	2.4206
H7	2.1756	1.0797	2.4095	2.6326	2.5065	3.0721		1.7797	3.5312
H8	2.1756	1.0797	2.4095	2.6326	3.0721	2.5065	1.7797		3.5312
H9	2.0315	3.2336	4.7915	0.9566	2.4206	2.4206	3.5312	3.5312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.197	C1	C2	H7	111.879
C1	C2	H8	111.879	C1	O4	H9	114.031
C2	C1	O4	104.521	C2	C1	H5	110.699
C2	C1	H6	110.699	Cl3	C2	H7	106.274
Cl3	C2	H8	106.274	O4	C1	H5	110.834
O4	C1	H6	110.834	H5	C1	H6	109.199
H7	C2	H8	111.006

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

using model chemistry: HF/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	-0.010
2	C	-0.231
3	Cl	-0.162
4	O	-0.593
5	H	0.127
6	H	0.127
7	H	0.179
8	H	0.179
9	H	0.385

	x	y	z	Total
	2.584	-1.274	0.000	2.881
CHELPG
AIM
ESP

	x	y	z
x	6.960	0.707	0.000
y	0.707	3.852	0.000
z	0.000	0.000	2.958

<r²>	99.260
(<r²>)^1/2	9.963

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

using model chemistry: HF/CEP-31G

States and conformations

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