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	hartrees
Energy at 0K	-614.367214
Energy at 298.15K	-614.361047
HF Energy	-612.977361
Nuclear repulsion energy	159.846641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4116	3878	63.24
2	A'	3302	3111	21.58
3	A'	3209	3023	43.01
4	A'	1684	1587	2.35
5	A'	1645	1550	8.79
6	A'	1607	1514	4.32
7	A'	1443	1359	3.01
8	A'	1345	1268	104.63
9	A'	1196	1127	89.94
10	A'	1100	1037	10.63
11	A'	826	778	106.90
12	A'	418	394	1.20
13	A'	272	256	11.31
14	A"	3369	3174	11.90
15	A"	3247	3060	57.81
16	A"	1431	1348	0.00
17	A"	1332	1255	2.67
18	A"	1174	1106	3.43
19	A"	866	816	0.11
20	A"	258	243	156.43
21	A"	142	134	14.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.961	-0.568	0.000
C2	0.000	0.601	0.000
Cl3	-1.684	0.020	0.000
O4	2.260	0.015	0.000
H5	0.790	-1.189	0.889
H6	0.790	-1.189	-0.889
H7	0.151	1.214	0.888
H8	0.151	1.214	-0.888
H9	2.910	-0.707	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5130	2.7096	1.4235	1.0976	1.0976	2.1492	2.1492	1.9539
C2	1.5130		1.7817	2.3345	2.1485	2.1485	1.0896	1.0896	3.1901
Cl3	2.7096	1.7817		3.9439	2.8933	2.8933	2.3626	2.3626	4.6512
O4	1.4235	2.3345	3.9439		2.0973	2.0973	2.5834	2.5834	0.9711
H5	1.0976	2.1485	2.8933	2.0973		1.7778	2.4858	3.0557	2.3488
H6	1.0976	2.1485	2.8933	2.0973	1.7778		3.0557	2.4858	2.3488
H7	2.1492	1.0896	2.3626	2.5834	2.4858	3.0557		1.7766	3.4769
H8	2.1492	1.0896	2.3626	2.5834	3.0557	2.4858	1.7766		3.4769
H9	1.9539	3.1901	4.6512	0.9711	2.3488	2.3488	3.4769	3.4769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.040	C1	C2	H7	111.480
C1	C2	H8	111.480	C1	O4	H9	109.740
C2	C1	O4	106.126	C2	C1	H5	110.613
C2	C1	H6	110.613	Cl3	C2	H7	107.421
Cl3	C2	H8	107.421	O4	C1	H5	110.876
O4	C1	H6	110.876	H5	C1	H6	107.768
H7	C2	H8	107.796

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

using model chemistry: G3

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: G3

States and conformations

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