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	hartrees
Energy at 0K	-614.428552
Energy at 298.15K	-614.434402
HF Energy	-614.194790
Nuclear repulsion energy	158.777861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3850	3674	39.75
2	A'	3133	2989	15.09
3	A'	3044	2904	35.69
4	A'	1544	1474	2.03
5	A'	1514	1445	4.33
6	A'	1471	1403	0.87
7	A'	1324	1264	2.97
8	A'	1245	1188	53.24
9	A'	1061	1012	96.45
10	A'	1034	986	8.18
11	A'	773	738	70.61
12	A'	390	372	2.41
13	A'	251	239	10.73
14	A"	3201	3054	6.95
15	A"	3088	2946	33.21
16	A"	1321	1260	0.12
17	A"	1223	1167	0.60
18	A"	1076	1026	2.29
19	A"	821	784	0.00
20	A"	189	180	109.31
21	A"	121	115	37.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.974	-0.544	0.000
C2	0.000	0.613	0.000
Cl3	-1.696	-0.011	0.000
O4	2.275	0.039	0.000
H5	0.811	-1.161	0.887
H6	0.811	-1.161	-0.887
H7	0.121	1.224	0.888
H8	0.121	1.224	-0.888
H9	2.925	-0.670	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5126	2.7235	1.4253	1.0930	1.0930	2.1543	2.1543	1.9549
C2	1.5126		1.8074	2.3463	2.1431	2.1431	1.0848	1.0848	3.1941
Cl3	2.7235	1.8074		3.9717	2.8983	2.8983	2.3701	2.3701	4.6684
O4	1.4253	2.3463	3.9717		2.0903	2.0903	2.6135	2.6135	0.9617
H5	1.0930	2.1431	2.8983	2.0903		1.7745	2.4824	3.0521	2.3446
H6	1.0930	2.1431	2.8983	2.0903	1.7745		3.0521	2.4824	2.3446
H7	2.1543	1.0848	2.3701	2.6135	2.4824	3.0521		1.7768	3.4978
H8	2.1543	1.0848	2.3701	2.6135	3.0521	2.4824	1.7768		3.4978
H9	1.9549	3.1941	4.6684	0.9617	2.3446	2.3446	3.4978	3.4978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.920	C1	C2	H7	110.997
C1	C2	H8	110.997	C1	O4	H9	108.400
C2	C1	O4	105.963	C2	C1	H5	109.620
C2	C1	H6	109.620	Cl3	C2	H7	107.417
Cl3	C2	H8	107.417	O4	C1	H5	111.529
O4	C1	H6	111.529	H5	C1	H6	108.544
H7	C2	H8	109.961

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

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

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