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	hartrees
Energy at 0K	-613.228934
Energy at 298.15K	-613.234845
HF Energy	-612.892490
Nuclear repulsion energy	155.550957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3779	3544	16.00
2	A'	3202	3003	9.13
3	A'	3094	2902	25.82
4	A'	1616	1516	1.27
5	A'	1573	1475	6.35
6	A'	1513	1419	2.30
7	A'	1358	1273	3.91
8	A'	1277	1198	57.81
9	A'	1070	1003	44.30
10	A'	1043	978	43.94
11	A'	727	682	92.17
12	A'	380	356	2.12
13	A'	250	234	14.46
14	A"	3278	3074	5.90
15	A"	3139	2944	40.99
16	A"	1364	1279	0.16
17	A"	1241	1164	1.67
18	A"	1095	1027	2.17
19	A"	843	790	0.07
20	A"	243	228	196.87
21	A"	124	116	20.02

Atom	x (Å)	y (Å)	z (Å)
C1	1.018	-0.508	0.000
C2	0.000	0.621	0.000
Cl3	-1.740	-0.104	0.000
O4	2.309	0.169	0.000
H5	0.897	-1.135	0.891
H6	0.897	-1.135	-0.891
H7	0.079	1.232	0.895
H8	0.079	1.232	-0.895
H9	3.047	-0.460	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5202	2.7875	1.4581	1.0960	1.0960	2.1708	2.1708	2.0295
C2	1.5202		1.8847	2.3529	2.1636	2.1636	1.0870	1.0870	3.2330
Cl3	2.7875	1.8847		4.0583	2.9686	2.9686	2.4278	2.4278	4.8002
O4	1.4581	2.3529	4.0583		2.1185	2.1185	2.6277	2.6277	0.9698
H5	1.0960	2.1636	2.9686	2.1185		1.7823	2.5045	3.0762	2.4229
H6	1.0960	2.1636	2.9686	2.1185	1.7823		3.0762	2.5045	2.4229
H7	2.1708	1.0870	2.4278	2.6277	2.5045	3.0762		1.7903	3.5320
H8	2.1708	1.0870	2.4278	2.6277	3.0762	2.5045	1.7903		3.5320
H9	2.0295	3.2330	4.8002	0.9698	2.4229	2.4229	3.5320	3.5320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.440	C1	C2	H7	111.663
C1	C2	H8	111.663	C1	O4	H9	111.843
C2	C1	O4	104.354	C2	C1	H5	110.531
C2	C1	H6	110.531	Cl3	C2	H7	106.456
Cl3	C2	H8	106.456	O4	C1	H5	111.297
O4	C1	H6	111.297	H5	C1	H6	108.794
H7	C2	H8	110.884

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

using model chemistry: CISD/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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All results from a given calculation for CH2ClCH2OH (2-Chloroethanol)

using model chemistry: CISD/6-31G

States and conformations

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