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	hartrees
Energy at 0K	-614.009553
Energy at 298.15K	-614.015470
HF Energy	-613.080581
Nuclear repulsion energy	159.745582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3867	3723
2	A'	3121	3005
3	A'	3042	2930
4	A'	1545	1488
5	A'	1510	1454
6	A'	1468	1413
7	A'	1310	1262
8	A'	1245	1198
9	A'	1084	1043
10	A'	1046	1007
11	A'	795	766
12	A'	392	378
13	A'	247	238
14	A"	3168	3050
15	A"	3071	2957
16	A"	1320	1271
17	A"	1224	1179
18	A"	1071	1031
19	A"	806	776
20	A"	215	207
21	A"	134	129

Atom	x (Å)	y (Å)	z (Å)
C1	0.961	-0.553	0.000
C2	0.000	0.611	0.000
Cl3	-1.682	0.006	0.000
O4	2.261	0.017	0.000
H5	0.785	-1.165	0.885
H6	0.785	-1.165	-0.885
H7	0.135	1.220	0.886
H8	0.135	1.220	-0.886
H9	2.898	-0.701	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5094	2.7017	1.4198	1.0907	1.0907	2.1470	2.1470	1.9421
C2	1.5094		1.7874	2.3381	2.1339	2.1339	1.0833	1.0833	3.1809
Cl3	2.7017	1.7874		3.9435	2.8707	2.8707	2.3578	2.3578	4.6340
O4	1.4198	2.3381	3.9435		2.0886	2.0886	2.5985	2.5985	0.9596
H5	1.0907	2.1339	2.8707	2.0886		1.7704	2.4718	3.0407	2.3374
H6	1.0907	2.1339	2.8707	2.0886	1.7704		3.0407	2.4718	2.3374
H7	2.1470	1.0833	2.3578	2.5985	2.4718	3.0407		1.7714	3.4794
H8	2.1470	1.0833	2.3578	2.5985	3.0407	2.4718	1.7714		3.4794
H9	1.9421	3.1809	4.6340	0.9596	2.3374	2.3374	3.4794	3.4794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.782	C1	C2	H7	110.732
C1	C2	H8	110.732	C1	O4	H9	107.852
C2	C1	O4	105.878	C2	C1	H5	109.254
C2	C1	H6	109.254	Cl3	C2	H7	107.907
Cl3	C2	H8	107.907	O4	C1	H5	111.938
O4	C1	H6	111.938	H5	C1	H6	108.509
H7	C2	H8	109.694

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

using model chemistry: MP4=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: MP4=FULL/cc-pVTZ

States and conformations

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