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	hartrees
Energy at 0K	-613.666201
Energy at 298.15K	-613.672152
HF Energy	-613.014008
Nuclear repulsion energy	158.530764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3869	3711	34.24
2	A'	3121	2995	17.24
3	A'	3031	2908	40.12
4	A'	1533	1471	2.18
5	A'	1503	1442	4.97
6	A'	1476	1416	1.87
7	A'	1318	1264	3.89
8	A'	1249	1198	60.98
9	A'	1113	1068	82.42
10	A'	1053	1010	6.27
11	A'	797	764	62.34
12	A'	395	379	2.17
13	A'	251	241	8.84
14	A"	3189	3060	10.97
15	A"	3075	2950	47.33
16	A"	1308	1255	0.01
17	A"	1218	1168	1.06
18	A"	1069	1026	3.07
19	A"	808	775	0.04
20	A"	235	225	114.28
21	A"	133	127	14.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.976	-0.559	0.000
C2	0.000	0.611	0.000
Cl3	-1.695	0.009	0.000
O4	2.273	0.019	0.000
H5	0.796	-1.186	0.897
H6	0.796	-1.186	-0.897
H7	0.141	1.233	0.898
H8	0.141	1.233	-0.898
H9	2.908	-0.708	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5239	2.7315	1.4197	1.1091	1.1091	2.1714	2.1714	1.9373
C2	1.5239		1.7989	2.3487	2.1605	2.1605	1.1011	1.1011	3.1928
Cl3	2.7315	1.7989		3.9683	2.9052	2.9052	2.3821	2.3821	4.6587
O4	1.4197	2.3487	3.9683		2.1068	2.1068	2.6124	2.6124	0.9649
H5	1.1091	2.1605	2.9052	2.1068		1.7938	2.5061	3.0824	2.3439
H6	1.1091	2.1605	2.9052	2.1068	1.7938		3.0824	2.5061	2.3439
H7	2.1714	1.1011	2.3821	2.6124	2.5061	3.0824		1.7955	3.4967
H8	2.1714	1.1011	2.3821	2.6124	3.0824	2.5061	1.7955		3.4967
H9	1.9373	3.1928	4.6587	0.9649	2.3439	2.3439	3.4967	3.4967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.301	C1	C2	H7	110.586
C1	C2	H8	110.586	C1	O4	H9	107.115
C2	C1	O4	105.805	C2	C1	H5	109.264
C2	C1	H6	109.264	Cl3	C2	H7	108.027
Cl3	C2	H8	108.027	O4	C1	H5	112.258
O4	C1	H6	112.258	H5	C1	H6	107.929
H7	C2	H8	109.236

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

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

using model chemistry: QCISD/cc-pVDZ

States and conformations

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