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	hartrees
Energy at 0K	-614.399599
Energy at 298.15K	-614.405536
HF Energy	-614.169344
Nuclear repulsion energy	158.997983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3835	3835	21.40
2	A'	3133	3133	19.35
3	A'	3038	3038	42.31
4	A'	1561	1561	1.64
5	A'	1523	1523	4.54
6	A'	1487	1487	1.62
7	A'	1340	1340	0.18
8	A'	1260	1260	70.59
9	A'	1081	1081	84.87
10	A'	1043	1043	13.84
11	A'	777	777	76.75
12	A'	393	393	2.49
13	A'	252	252	10.35
14	A"	3199	3199	10.91
15	A"	3080	3080	45.15
16	A"	1333	1333	0.04
17	A"	1233	1233	0.35
18	A"	1091	1091	5.70
19	A"	820	820	0.07
20	A"	236	236	146.56
21	A"	131	131	17.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.976	-0.552	0.000
C2	0.000	0.606	0.000
Cl3	-1.694	-0.004	0.000
O4	2.267	0.039	0.000
H5	0.813	-1.172	0.888
H6	0.813	-1.172	-0.888
H7	0.129	1.218	0.888
H8	0.129	1.218	-0.888
H9	2.926	-0.660	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5144	2.7261	1.4201	1.0956	1.0956	2.1542	2.1542	1.9525
C2	1.5144		1.8008	2.3369	2.1474	2.1474	1.0867	1.0867	3.1876
Cl3	2.7261	1.8008		3.9618	2.9051	2.9051	2.3683	2.3683	4.6662
O4	1.4201	2.3369	3.9618		2.0910	2.0910	2.5980	2.5980	0.9605
H5	1.0956	2.1474	2.9051	2.0910		1.7767	2.4864	3.0559	2.3484
H6	1.0956	2.1474	2.9051	2.0910	1.7767		3.0559	2.4864	2.3484
H7	2.1542	1.0867	2.3683	2.5980	2.4864	3.0559		1.7765	3.4837
H8	2.1542	1.0867	2.3683	2.5980	3.0559	2.4864	1.7765		3.4837
H9	1.9525	3.1876	4.6662	0.9605	2.3484	2.3484	3.4837	3.4837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.335	C1	C2	H7	110.752
C1	C2	H8	110.752	C1	O4	H9	108.657
C2	C1	O4	105.519	C2	C1	H5	109.680
C2	C1	H6	109.680	Cl3	C2	H7	107.626
Cl3	C2	H8	107.626	O4	C1	H5	111.787
O4	C1	H6	111.787	H5	C1	H6	108.352
H7	C2	H8	109.648

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

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

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