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	hartrees
Energy at 0K	-614.007933
Energy at 298.15K	-614.013856
HF Energy	-613.080698
Nuclear repulsion energy	159.748455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3877	3710
2	A'	3123	2989
3	A'	3042	2911
4	A'	1547	1480
5	A'	1512	1447
6	A'	1473	1409
7	A'	1314	1257
8	A'	1248	1194
9	A'	1093	1045
10	A'	1047	1002
11	A'	793	759
12	A'	393	376
13	A'	248	237
14	A"	3167	3031
15	A"	3066	2934
16	A"	1322	1265
17	A"	1227	1174
18	A"	1072	1026
19	A"	807	772
20	A"	216	207
21	A"	134	128

Atom	x (Å)	y (Å)	z (Å)
C1	0.962	-0.552	0.000
C2	0.000	0.612	0.000
Cl3	-1.682	0.005	0.000
O4	2.261	0.017	0.000
H5	0.786	-1.164	0.885
H6	0.786	-1.164	-0.885
H7	0.134	1.220	0.886
H8	0.134	1.220	-0.886
H9	2.898	-0.699	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5099	2.7029	1.4179	1.0906	1.0906	2.1473	2.1473	1.9415
C2	1.5099		1.7883	2.3379	2.1342	2.1342	1.0829	1.0829	3.1809
Cl3	2.7029	1.7883		3.9436	2.8715	2.8715	2.3577	2.3577	4.6347
O4	1.4179	2.3379	3.9436		2.0868	2.0868	2.5995	2.5995	0.9587
H5	1.0906	2.1342	2.8715	2.0868		1.7701	2.4721	3.0408	2.3369
H6	1.0906	2.1342	2.8715	2.0868	1.7701		3.0408	2.4721	2.3369
H7	2.1473	1.0829	2.3577	2.5995	2.4721	3.0408		1.7712	3.4800
H8	2.1473	1.0829	2.3577	2.5995	3.0408	2.4721	1.7712		3.4800
H9	1.9415	3.1809	4.6347	0.9587	2.3369	2.3369	3.4800	3.4800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.788	C1	C2	H7	110.754
C1	C2	H8	110.754	C1	O4	H9	107.996
C2	C1	O4	105.938	C2	C1	H5	109.247
C2	C1	H6	109.247	Cl3	C2	H7	107.861
Cl3	C2	H8	107.861	O4	C1	H5	111.925
O4	C1	H6	111.925	H5	C1	H6	108.490
H7	C2	H8	109.734

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

using model chemistry: QCISD(T)=FULL/cc-pVTZ

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(T)=FULL/cc-pVTZ

States and conformations

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