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	hartrees
Energy at 0K	-613.681232
Energy at 298.15K	-613.687152
HF Energy	-613.013594
Nuclear repulsion energy	158.343729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3842	3715
2	A'	3107	3004
3	A'	3016	2916
4	A'	1523	1473
5	A'	1491	1442
6	A'	1462	1414
7	A'	1305	1262
8	A'	1238	1197
9	A'	1095	1059
10	A'	1045	1010
11	A'	792	765
12	A'	390	377
13	A'	248	240
14	A"	3178	3073
15	A"	3063	2962
16	A"	1298	1255
17	A"	1207	1167
18	A"	1060	1025
19	A"	801	775
20	A"	230	222
21	A"	131	127

Atom	x (Å)	y (Å)	z (Å)
C1	0.977	-0.561	0.000
C2	0.000	0.611	0.000
Cl3	-1.697	0.010	0.000
O4	2.276	0.019	0.000
H5	0.793	-1.188	0.898
H6	0.793	-1.188	-0.898
H7	0.143	1.234	0.899
H8	0.143	1.234	-0.899
H9	2.907	-0.713	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5254	2.7336	1.4230	1.1107	1.1107	2.1730	2.1730	1.9365
C2	1.5254		1.8005	2.3519	2.1618	2.1618	1.1026	1.1026	3.1946
Cl3	2.7336	1.8005		3.9731	2.9056	2.9056	2.3858	2.3858	4.6603
O4	1.4230	2.3519	3.9731		2.1123	2.1123	2.6141	2.6141	0.9668
H5	1.1107	2.1618	2.9056	2.1123		1.7959	2.5076	3.0849	2.3449
H6	1.1107	2.1618	2.9056	2.1123	1.7959		3.0849	2.5076	2.3449
H7	2.1730	1.1026	2.3858	2.6141	2.5076	3.0849		1.7976	3.4984
H8	2.1730	1.1026	2.3858	2.6141	3.0849	2.5076	1.7976		3.4984
H9	1.9365	3.1946	4.6603	0.9668	2.3449	2.3449	3.4984	3.4984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.279	C1	C2	H7	110.525
C1	C2	H8	110.525	C1	O4	H9	106.691
C2	C1	O4	105.766	C2	C1	H5	109.176
C2	C1	H6	109.176	Cl3	C2	H7	108.116
Cl3	C2	H8	108.116	O4	C1	H5	112.377
O4	C1	H6	112.377	H5	C1	H6	107.898
H7	C2	H8	109.209

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

using model chemistry: MP4/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/cc-pVDZ

States and conformations

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