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	hartrees
Energy at 0K	-606.284017
Energy at 298.15K	-606.289837
HF Energy	-606.128548
Nuclear repulsion energy	154.905154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3884	3452	36.02
2	A'	3413	3034	0.23
3	A'	3342	2970	5.85
4	A'	1726	1534	0.45
5	A'	1681	1494	3.28
6	A'	1651	1468	3.32
7	A'	1476	1312	0.20
8	A'	1368	1216	42.89
9	A'	1205	1072	2.88
10	A'	1109	986	1.91
11	A'	905	804	32.76
12	A'	391	348	0.60
13	A'	248	220	8.49
14	A"	3536	3143	0.25
15	A"	3450	3067	10.76
16	A"	1416	1259	0.00
17	A"	1282	1140	6.12
18	A"	1139	1013	0.24
19	A"	847	753	0.06
20	A"	316	281	72.55
21	A"	100	89	7.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.996	-0.584	0.000
C2	0.000	0.625	0.000
Cl3	-1.736	0.035	0.000
O4	2.341	-0.009	0.000
H5	0.805	-1.215	0.900
H6	0.805	-1.215	-0.900
H7	0.142	1.252	0.903
H8	0.142	1.252	-0.903
H9	2.912	-0.849	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5670	2.8015	1.4621	1.1155	1.1155	2.2176	2.2176	1.9341
C2	1.5670		1.8334	2.4252	2.2013	2.2013	1.1083	1.1083	3.2642
Cl3	2.8015	1.8334		4.0767	2.9714	2.9714	2.4129	2.4129	4.7314
O4	1.4621	2.4252	4.0767		2.1498	2.1498	2.6911	2.6911	1.0158
H5	1.1155	2.2013	2.9714	2.1498		1.7992	2.5552	3.1270	2.3202
H6	1.1155	2.2013	2.9714	2.1498	1.7992		3.1270	2.5552	2.3202
H7	2.2176	1.1083	2.4129	2.6911	2.5552	3.1270		1.8058	3.5925
H8	2.2176	1.1083	2.4129	2.6911	3.1270	2.5552	1.8058		3.5925
H9	1.9341	3.2642	4.7314	1.0158	2.3202	2.3202	3.5925	3.5925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.702	C1	C2	H7	110.804
C1	C2	H8	110.804	C1	O4	H9	101.090
C2	C1	O4	106.331	C2	C1	H5	109.132
C2	C1	H6	109.132	Cl3	C2	H7	107.654
Cl3	C2	H8	107.654	O4	C1	H5	112.342
O4	C1	H6	112.342	H5	C1	H6	107.502
H7	C2	H8	109.111

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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