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	hartrees
Energy at 0K	-613.741734
Energy at 298.15K	-613.747619
HF Energy	-613.030371
Nuclear repulsion energy	157.699070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3813	3728
2	A'	3091	3022
3	A'	3016	2949
4	A'	1506	1472
5	A'	1476	1443
6	A'	1434	1402
7	A'	1288	1260
8	A'	1229	1201
9	A'	1055	1032
10	A'	1029	1006
11	A'	764	747
12	A'	384	375
13	A'	246	241
14	A"	3161	3091
15	A"	3065	2997
16	A"	1286	1257
17	A"	1191	1165
18	A"	1049	1026
19	A"	790	773
20	A"	239	234
21	A"	122	119

Atom	x (Å)	y (Å)	z (Å)
C1	0.973	-0.554	0.000
C2	0.000	0.624	0.000
Cl3	-1.702	-0.006	0.000
O4	2.288	0.030	0.000
H5	0.805	-1.176	0.901
H6	0.805	-1.176	-0.901
H7	0.124	1.241	0.902
H8	0.124	1.241	-0.902
H9	2.936	-0.687	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5272	2.7302	1.4391	1.1073	1.1073	2.1807	2.1807	1.9683
C2	1.5272		1.8147	2.3637	2.1675	2.1675	1.1003	1.1003	3.2157
Cl3	2.7302	1.8147		3.9901	2.9099	2.9099	2.3881	2.3881	4.6882
O4	1.4391	2.3637	3.9901		2.1126	2.1126	2.6388	2.6388	0.9669
H5	1.1073	2.1675	2.9099	2.1126		1.8013	2.5109	3.0913	2.3645
H6	1.1073	2.1675	2.9099	2.1126	1.8013		3.0913	2.5109	2.3645
H7	2.1807	1.1003	2.3881	2.6388	2.5109	3.0913		1.8048	3.5272
H8	2.1807	1.1003	2.3881	2.6388	3.0913	2.5109	1.8048		3.5272
H9	1.9683	3.2157	4.6882	0.9669	2.3645	2.3645	3.5272	3.5272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.263	C1	C2	H7	111.145
C1	C2	H8	111.145	C1	O4	H9	108.185
C2	C1	O4	105.623	C2	C1	H5	109.694
C2	C1	H6	109.694	Cl3	C2	H7	107.474
Cl3	C2	H8	107.474	O4	C1	H5	111.460
O4	C1	H6	111.460	H5	C1	H6	108.862
H7	C2	H8	110.196

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

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVDZ

States and conformations

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