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	hartrees
Energy at 0K	-613.682265
Energy at 298.15K	-613.688184
HF Energy	-613.013594
Nuclear repulsion energy	158.273457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3836	3657
2	A'	3104	2958
3	A'	3011	2870
4	A'	1522	1451
5	A'	1490	1421
6	A'	1462	1394
7	A'	1305	1244
8	A'	1238	1180
9	A'	1097	1045
10	A'	1043	994
11	A'	786	749
12	A'	390	371
13	A'	249	237
14	A"	3173	3024
15	A"	3056	2913
16	A"	1297	1236
17	A"	1206	1150
18	A"	1058	1009
19	A"	800	763
20	A"	232	221
21	A"	131	125

Atom	x (Å)	y (Å)	z (Å)
C1	0.978	-0.559	0.000
C2	0.000	0.613	0.000
Cl3	-1.698	0.007	0.000
O4	2.277	0.021	0.000
H5	0.796	-1.187	0.898
H6	0.796	-1.187	-0.898
H7	0.141	1.235	0.899
H8	0.141	1.235	-0.899
H9	2.909	-0.710	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5260	2.7349	1.4229	1.1108	1.1108	2.1742	2.1742	1.9375
C2	1.5260		1.8025	2.3524	2.1627	2.1627	1.1026	1.1026	3.1959
Cl3	2.7349	1.8025		3.9747	2.9068	2.9068	2.3867	2.3867	4.6627
O4	1.4229	2.3524	3.9747		2.1119	2.1119	2.6161	2.6161	0.9669
H5	1.1108	2.1627	2.9068	2.1119		1.7966	2.5085	3.0860	2.3457
H6	1.1108	2.1627	2.9068	2.1119	1.7966		3.0860	2.5085	2.3457
H7	2.1742	1.1026	2.3867	2.6161	2.5085	3.0860		1.7984	3.5008
H8	2.1742	1.1026	2.3867	2.6161	3.0860	2.5085	1.7984		3.5008
H9	1.9375	3.1959	4.6627	0.9669	2.3457	2.3457	3.5008	3.5008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.223	C1	C2	H7	110.577
C1	C2	H8	110.577	C1	O4	H9	106.782
C2	C1	O4	105.770	C2	C1	H5	109.191
C2	C1	H6	109.191	Cl3	C2	H7	108.052
Cl3	C2	H8	108.052	O4	C1	H5	112.342
O4	C1	H6	112.342	H5	C1	H6	107.933
H7	C2	H8	109.284

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

using model chemistry: QCISD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

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