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	hartrees
Energy at 0K	-613.686169
Energy at 298.15K	-613.692125
HF Energy	-613.036791
Nuclear repulsion energy	159.150093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3695	18.12
2	A'	3112	2979	18.72
3	A'	3025	2896	38.42
4	A'	1562	1495	1.46
5	A'	1525	1460	5.33
6	A'	1499	1435	1.48
7	A'	1356	1298	0.13
8	A'	1272	1218	76.31
9	A'	1112	1065	79.76
10	A'	1057	1012	7.70
11	A'	804	770	69.92
12	A'	399	382	3.18
13	A'	256	245	10.20
14	A"	3177	3042	11.28
15	A"	3067	2936	41.70
16	A"	1336	1280	0.07
17	A"	1240	1188	0.52
18	A"	1101	1055	5.50
19	A"	819	784	0.00
20	A"	222	212	142.55
21	A"	134	129	22.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.968	-0.560	0.000
C2	0.000	0.609	0.000
Cl3	-1.690	0.012	0.000
O4	2.265	0.015	0.000
H5	0.798	-1.181	0.892
H6	0.798	-1.181	-0.892
H7	0.142	1.221	0.892
H8	0.142	1.221	-0.892
H9	2.913	-0.693	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5177	2.7186	1.4190	1.0998	1.0998	2.1570	2.1570	1.9492
C2	1.5177		1.7919	2.3420	2.1528	2.1528	1.0913	1.0913	3.1904
Cl3	2.7186	1.7919		3.9550	2.8992	2.8992	2.3688	2.3688	4.6561
O4	1.4190	2.3420	3.9550		2.0925	2.0925	2.6005	2.6005	0.9591
H5	1.0998	2.1528	2.8992	2.0925		1.7836	2.4903	3.0633	2.3466
H6	1.0998	2.1528	2.8992	2.0925	1.7836		3.0633	2.4903	2.3466
H7	2.1570	1.0913	2.3688	2.6005	2.4903	3.0633		1.7839	3.4843
H8	2.1570	1.0913	2.3688	2.6005	3.0633	2.4903	1.7839		3.4843
H9	1.9492	3.1904	4.6561	0.9591	2.3466	2.3466	3.4843	3.4843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.184	C1	C2	H7	110.467
C1	C2	H8	110.467	C1	O4	H9	108.556
C2	C1	O4	105.736	C2	C1	H5	109.627
C2	C1	H6	109.627	Cl3	C2	H7	108.014
Cl3	C2	H8	108.014	O4	C1	H5	111.729
O4	C1	H6	111.729	H5	C1	H6	108.358
H7	C2	H8	109.626

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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