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	hartrees
Energy at 0K	-613.766481
Energy at 298.15K	-613.772271
HF Energy	-613.063158
Nuclear repulsion energy	158.678139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3844	3701
2	A'	3124	3008
3	A'	3040	2928
4	A'	1540	1482
5	A'	1512	1456
6	A'	1477	1422
7	A'	1334	1284
8	A'	1252	1206
9	A'	1068	1028
10	A'	1038	1000
11	A'	788	759
12	A'	390	375
13	A'	251	242
14	A"	3195	3077
15	A"	3088	2974
16	A"	1316	1267
17	A"	1223	1177
18	A"	1080	1040
19	A"	821	790
20	A"	168	162
21	A"	100	96

Atom	x (Å)	y (Å)	z (Å)
C1	0.969	-0.550	0.000
C2	0.000	0.617	0.000
Cl3	-1.695	0.001	0.000
O4	2.278	0.023	0.000
H5	0.800	-1.167	0.890
H6	0.800	-1.167	-0.890
H7	0.133	1.226	0.892
H8	0.133	1.226	-0.892
H9	2.909	-0.707	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5164	2.7200	1.4294	1.0959	1.0959	2.1559	2.1559	1.9462
C2	1.5164		1.8034	2.3546	2.1478	2.1478	1.0882	1.0882	3.1954
Cl3	2.7200	1.8034		3.9735	2.8949	2.8949	2.3742	2.3742	4.6576
O4	1.4294	2.3546	3.9735		2.0959	2.0959	2.6167	2.6167	0.9638
H5	1.0959	2.1478	2.8949	2.0959		1.7799	2.4841	3.0570	2.3345
H6	1.0959	2.1478	2.8949	2.0959	1.7799		3.0570	2.4841	2.3345
H7	2.1559	1.0882	2.3742	2.6167	2.4841	3.0570		1.7836	3.4978
H8	2.1559	1.0882	2.3742	2.6167	3.0570	2.4841	1.7836		3.4978
H9	1.9462	3.1954	4.6576	0.9638	2.3345	2.3345	3.4978	3.4978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.735	C1	C2	H7	110.659
C1	C2	H8	110.659	C1	O4	H9	107.215
C2	C1	O4	106.088	C2	C1	H5	109.560
C2	C1	H6	109.560	Cl3	C2	H7	107.809
Cl3	C2	H8	107.809	O4	C1	H5	111.501
O4	C1	H6	111.501	H5	C1	H6	108.594
H7	C2	H8	110.082

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

using model chemistry: MP4/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: MP4/TZVP

States and conformations

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