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	hartrees
Energy at 0K	-614.485760
Energy at 298.15K	-614.491653
HF Energy	-614.209836
Nuclear repulsion energy	159.346598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3689	42.85
2	A'	3123	2985	14.94
3	A'	3038	2903	34.79
4	A'	1546	1477	2.27
5	A'	1511	1444	3.66
6	A'	1464	1400	2.15
7	A'	1309	1251	0.64
8	A'	1241	1186	48.23
9	A'	1071	1024	91.61
10	A'	1035	990	12.94
11	A'	777	742	64.74
12	A'	391	374	2.08
13	A'	248	237	8.96
14	A"	3181	3040	6.69
15	A"	3075	2939	31.14
16	A"	1318	1259	0.06
17	A"	1219	1165	0.54
18	A"	1070	1023	2.23
19	A"	810	774	0.09
20	A"	214	205	108.89
21	A"	125	120	17.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.968	-0.551	0.000
C2	0.000	0.610	0.000
Cl3	-1.689	0.001	0.000
O4	2.266	0.026	0.000
H5	0.799	-1.166	0.885
H6	0.799	-1.166	-0.885
H7	0.127	1.221	0.886
H8	0.127	1.221	-0.886
H9	2.915	-0.680	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5113	2.7139	1.4205	1.0912	1.0912	2.1517	2.1517	1.9513
C2	1.5113		1.7953	2.3403	2.1393	2.1393	1.0834	1.0834	3.1881
Cl3	2.7139	1.7953		3.9553	2.8873	2.8873	2.3600	2.3600	4.6544
O4	1.4205	2.3403	3.9553		2.0875	2.0875	2.6054	2.6054	0.9595
H5	1.0912	2.1393	2.8873	2.0875		1.7697	2.4800	3.0471	2.3445
H6	1.0912	2.1393	2.8873	2.0875	1.7697		3.0471	2.4800	2.3445
H7	2.1517	1.0834	2.3600	2.6054	2.4800	3.0471		1.7712	3.4891
H8	2.1517	1.0834	2.3600	2.6054	3.0471	2.4800	1.7712		3.4891
H9	1.9513	3.1881	4.6544	0.9595	2.3445	2.3445	3.4891	3.4891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.021	C1	C2	H7	110.973
C1	C2	H8	110.973	C1	O4	H9	108.596
C2	C1	O4	105.883	C2	C1	H5	109.512
C2	C1	H6	109.512	Cl3	C2	H7	107.546
Cl3	C2	H8	107.546	O4	C1	H5	111.760
O4	C1	H6	111.760	H5	C1	H6	108.370
H7	C2	H8	109.662

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/cc-pVTZ

States and conformations

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