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	hartrees
Energy at 0K	-612.698957
Energy at 298.15K	-612.704739
HF Energy	-612.698957
Nuclear repulsion energy	160.052838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3723	3682	44.44
2	A'	3013	2980	12.34
3	A'	2894	2862	43.20
4	A'	1433	1417	3.04
5	A'	1405	1389	4.01
6	A'	1385	1370	0.52
7	A'	1223	1210	14.71
8	A'	1175	1162	18.62
9	A'	1114	1102	90.75
10	A'	1030	1018	35.53
11	A'	789	781	55.58
12	A'	389	385	2.61
13	A'	234	232	8.89
14	A"	3082	3048	3.99
15	A"	2932	2899	43.72
16	A"	1229	1215	0.30
17	A"	1142	1129	0.19
18	A"	996	985	3.53
19	A"	775	766	0.45
20	A"	200	198	108.50
21	A"	119	118	22.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.966	-0.549	0.000
C2	0.000	0.602	0.000
Cl3	-1.674	0.004	0.000
O4	2.242	0.027	0.000
H5	0.766	-1.184	0.900
H6	0.766	-1.184	-0.900
H7	0.145	1.232	0.901
H8	0.145	1.232	-0.901
H9	2.899	-0.694	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5029	2.6975	1.3997	1.1193	1.1193	2.1576	2.1576	1.9384
C2	1.5029		1.7778	2.3150	2.1419	2.1419	1.1085	1.1085	3.1758
Cl3	2.6975	1.7778		3.9163	2.8593	2.8593	2.3728	2.3728	4.6262
O4	1.3997	2.3150	3.9163		2.1101	2.1101	2.5808	2.5808	0.9751
H5	1.1193	2.1419	2.8593	2.1101		1.7994	2.4942	3.0762	2.3661
H6	1.1193	2.1419	2.8593	2.1101	1.7994		3.0762	2.4942	2.3661
H7	2.1576	1.1085	2.3728	2.5808	2.4942	3.0762		1.8014	3.4789
H8	2.1576	1.1085	2.3728	2.5808	3.0762	2.4942	1.8014		3.4789
H9	1.9384	3.1758	4.6262	0.9751	2.3661	2.3661	3.4789	3.4789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.333	C1	C2	H7	110.522
C1	C2	H8	110.522	C1	O4	H9	108.095
C2	C1	O4	105.742	C2	C1	H5	108.654
C2	C1	H6	108.654	Cl3	C2	H7	108.349
Cl3	C2	H8	108.349	O4	C1	H5	113.327
O4	C1	H6	113.327	H5	C1	H6	106.993
H7	C2	H8	108.698

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

using model chemistry: LSDA/cc-pVDZ

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	0.008
2	C	-0.180
3	Cl	-0.110
4	O	-0.236
5	H	0.058
6	H	0.058
7	H	0.116
8	H	0.116
9	H	0.171

	x	y	z	Total
	1.881	-0.930	0.000	2.099
CHELPG
AIM
ESP

	x	y	z
x	7.044	0.110	0.000
y	0.110	4.969	0.000
z	0.000	0.000	4.296

<r²>	135.796
(<r²>)^1/2	11.653

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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