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	hartrees
Energy at 0K	-613.756030
Energy at 298.15K	-613.761928
HF Energy	-613.030613
Nuclear repulsion energy	157.893933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3818	3708
2	A'	3097	3008
3	A'	3021	2934
4	A'	1508	1465
5	A'	1478	1435
6	A'	1438	1396
7	A'	1290	1252
8	A'	1231	1195
9	A'	1060	1029
10	A'	1032	1002
11	A'	766	743
12	A'	385	374
13	A'	247	240
14	A"	3168	3076
15	A"	3071	2983
16	A"	1289	1252
17	A"	1195	1160
18	A"	1050	1020
19	A"	791	768
20	A"	243	236
21	A"	123	119

Atom	x (Å)	y (Å)	z (Å)
C1	0.970	-0.553	0.000
C2	0.000	0.624	0.000
Cl3	-1.699	-0.005	0.000
O4	2.285	0.027	0.000
H5	0.802	-1.174	0.900
H6	0.802	-1.174	-0.900
H7	0.124	1.241	0.902
H8	0.124	1.241	-0.902
H9	2.932	-0.691	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5255	2.7254	1.4371	1.1063	1.1063	2.1783	2.1783	1.9664
C2	1.5255		1.8124	2.3621	2.1647	2.1647	1.0993	1.0993	3.2134
Cl3	2.7254	1.8124		3.9849	2.9036	2.9036	2.3859	2.3859	4.6819
O4	1.4371	2.3621	3.9849		2.1103	2.1103	2.6373	2.6373	0.9662
H5	1.1063	2.1647	2.9036	2.1103		1.7994	2.5079	3.0877	2.3624
H6	1.1063	2.1647	2.9036	2.1103	1.7994		3.0877	2.5079	2.3624
H7	2.1783	1.0993	2.3859	2.6373	2.5079	3.0877		1.8033	3.5250
H8	2.1783	1.0993	2.3859	2.6373	3.0877	2.5079	1.8033		3.5250
H9	1.9664	3.2134	4.6819	0.9662	2.3624	2.3624	3.5250	3.5250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.172	C1	C2	H7	111.140
C1	C2	H8	111.140	C1	O4	H9	108.213
C2	C1	O4	105.707	C2	C1	H5	109.649
C2	C1	H6	109.649	Cl3	C2	H7	107.520
Cl3	C2	H8	107.520	O4	C1	H5	111.477
O4	C1	H6	111.477	H5	C1	H6	108.834
H7	C2	H8	110.208

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

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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