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	hartrees
Energy at 0K	-613.756726
Energy at 298.15K	-613.762619
HF Energy	-613.030509
Nuclear repulsion energy	157.900735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3807	3713
2	A'	3098	3021
3	A'	3025	2950
4	A'	1507	1470
5	A'	1477	1441
6	A'	1432	1397
7	A'	1286	1254
8	A'	1228	1197
9	A'	1053	1026
10	A'	1029	1003
11	A'	768	749
12	A'	385	375
13	A'	246	240
14	A"	3171	3093
15	A"	3078	3002
16	A"	1287	1255
17	A"	1193	1163
18	A"	1050	1024
19	A"	791	771
20	A"	242	236
21	A"	122	119

Atom	x (Å)	y (Å)	z (Å)
C1	0.969	-0.554	0.000
C2	0.000	0.623	0.000
Cl3	-1.699	-0.005	0.000
O4	2.285	0.028	0.000
H5	0.801	-1.175	0.900
H6	0.801	-1.175	-0.900
H7	0.126	1.240	0.902
H8	0.126	1.240	-0.902
H9	2.933	-0.691	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5248	2.7240	1.4392	1.1061	1.1061	2.1776	2.1776	1.9683
C2	1.5248		1.8114	2.3617	2.1646	2.1646	1.0994	1.0994	3.2136
Cl3	2.7240	1.8114		3.9846	2.9036	2.9036	2.3856	2.3856	4.6821
O4	1.4392	2.3617	3.9846		2.1115	2.1115	2.6357	2.6357	0.9670
H5	1.1061	2.1646	2.9036	2.1115		1.7996	2.5076	3.0875	2.3635
H6	1.1061	2.1646	2.9036	2.1115	1.7996		3.0875	2.5076	2.3635
H7	2.1776	1.0994	2.3856	2.6357	2.5076	3.0875		1.8031	3.5241
H8	2.1776	1.0994	2.3856	2.6357	3.0875	2.5076	1.8031		3.5241
H9	1.9683	3.2136	4.6821	0.9670	2.3635	2.3635	3.5241	3.5241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.168	C1	C2	H7	111.122
C1	C2	H8	111.122	C1	O4	H9	108.170
C2	C1	O4	105.618	C2	C1	H5	109.703
C2	C1	H6	109.703	Cl3	C2	H7	107.555
Cl3	C2	H8	107.555	O4	C1	H5	111.445
O4	C1	H6	111.445	H5	C1	H6	108.878
H7	C2	H8	110.179

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

using model chemistry: MP4=FULL/aug-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: MP4=FULL/aug-cc-pVDZ

States and conformations

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