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	hartrees
Energy at 0K	-614.709649
Energy at 298.15K	-614.715495
HF Energy	-614.709649
Nuclear repulsion energy	158.532924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3810	3810	29.92
2	A'	3099	3099	18.43
3	A'	2997	2997	41.67
4	A'	1536	1536	1.11
5	A'	1504	1504	3.16
6	A'	1454	1454	1.86
7	A'	1307	1307	0.50
8	A'	1235	1235	57.05
9	A'	1052	1052	80.26
10	A'	1021	1021	22.54
11	A'	753	753	77.88
12	A'	380	380	1.72
13	A'	238	238	10.43
14	A"	3165	3165	11.24
15	A"	3037	3037	44.13
16	A"	1306	1306	0.01
17	A"	1203	1203	0.37
18	A"	1061	1061	4.80
19	A"	803	803	0.11
20	A"	222	222	120.58
21	A"	122	122	15.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.980	-0.552	0.000
C2	0.000	0.609	0.000
Cl3	-1.698	-0.011	0.000
O4	2.274	0.051	0.000
H5	0.819	-1.171	0.892
H6	0.819	-1.171	-0.892
H7	0.118	1.221	0.892
H8	0.118	1.221	-0.892
H9	2.928	-0.657	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5192	2.7328	1.4267	1.0974	1.0974	2.1635	2.1635	1.9507
C2	1.5192		1.8080	2.3410	2.1523	2.1523	1.0882	1.0882	3.1899
Cl3	2.7328	1.8080		3.9725	2.9116	2.9116	2.3694	2.3694	4.6715
O4	1.4267	2.3410	3.9725		2.0985	2.0985	2.6094	2.6094	0.9640
H5	1.0974	2.1523	2.9116	2.0985		1.7833	2.4922	3.0647	2.3471
H6	1.0974	2.1523	2.9116	2.0985	1.7833		3.0647	2.4922	2.3471
H7	2.1635	1.0882	2.3694	2.6094	2.4922	3.0647		1.7837	3.4951
H8	2.1635	1.0882	2.3694	2.6094	3.0647	2.4922	1.7837		3.4951
H9	1.9507	3.1899	4.6715	0.9640	2.3471	2.3471	3.4951	3.4951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.144	C1	C2	H7	111.071
C1	C2	H8	111.071	C1	O4	H9	107.788
C2	C1	O4	105.202	C2	C1	H5	109.632
C2	C1	H6	109.632	Cl3	C2	H7	107.161
Cl3	C2	H8	107.161	O4	C1	H5	111.817
O4	C1	H6	111.817	H5	C1	H6	108.680
H7	C2	H8	110.083

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

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	0.003
2	C	-0.303
3	Cl	-0.130
4	O	-0.414
5	H	0.117
6	H	0.117
7	H	0.179
8	H	0.179
9	H	0.251

	x	y	z	Total
	1.992	-1.018	0.000	2.237
CHELPG
AIM
ESP

	x	y	z
x	7.472	0.205	0.000
y	0.205	4.892	0.000
z	0.000	0.000	4.184

<r²>	139.148
(<r²>)^1/2	11.796

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

using model chemistry: TPSSh/6-311G**

States and conformations

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