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	hartrees
Energy at 0K	-613.951731
Energy at 298.15K	-613.957583
HF Energy	-613.083294
Nuclear repulsion energy	159.052350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3823	3720
2	A'	3094	3011
3	A'	3020	2939
4	A'	1531	1490
5	A'	1504	1464
6	A'	1445	1407
7	A'	1298	1263
8	A'	1232	1199
9	A'	1057	1029
10	A'	1033	1006
11	A'	782	761
12	A'	388	378
13	A'	246	239
14	A"	3161	3076
15	A"	3068	2985
16	A"	1306	1271
17	A"	1206	1173
18	A"	1064	1035
19	A"	800	779
20	A"	199	194
21	A"	123	120

Atom	x (Å)	y (Å)	z (Å)
C1	0.960	-0.555	0.000
C2	0.000	0.618	0.000
Cl3	-1.687	0.005	0.000
O4	2.271	0.014	0.000
H5	0.790	-1.170	0.890
H6	0.790	-1.170	-0.890
H7	0.129	1.230	0.891
H8	0.129	1.230	-0.891
H9	2.912	-0.705	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5158	2.7054	1.4297	1.0955	1.0955	2.1611	2.1611	1.9576
C2	1.5158		1.7950	2.3504	2.1481	2.1481	1.0887	1.0887	3.1984
Cl3	2.7054	1.7950		3.9584	2.8822	2.8822	2.3649	2.3649	4.6532
O4	1.4297	2.3504	3.9584		2.0954	2.0954	2.6197	2.6197	0.9631
H5	1.0955	2.1481	2.8822	2.0954		1.7808	2.4892	3.0612	2.3478
H6	1.0955	2.1481	2.8822	2.0954	1.7808		3.0612	2.4892	2.3478
H7	2.1611	1.0887	2.3649	2.6197	2.4892	3.0612		1.7827	3.5047
H8	2.1611	1.0887	2.3649	2.6197	3.0612	2.4892	1.7827		3.5047
H9	1.9576	3.1984	4.6532	0.9631	2.3478	2.3478	3.5047	3.5047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.311	C1	C2	H7	111.089
C1	C2	H8	111.089	C1	O4	H9	108.218
C2	C1	O4	105.833	C2	C1	H5	109.643
C2	C1	H6	109.643	Cl3	C2	H7	107.656
Cl3	C2	H8	107.656	O4	C1	H5	111.473
O4	C1	H6	111.473	H5	C1	H6	108.733
H7	C2	H8	109.915

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

using model chemistry: MP4/aug-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/aug-cc-pVTZ

States and conformations

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