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	hartrees
Energy at 0K	-690.954384
Energy at 298.15K	-690.964897
Nuclear repulsion energy	286.416201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3340	3008	20.73
2	A'	3294	2966	59.83
3	A'	3224	2903	53.07
4	A'	3212	2892	43.91
5	A'	3194	2876	54.44
6	A'	1683	1515	3.23
7	A'	1671	1504	4.88
8	A'	1650	1486	7.11
9	A'	1641	1478	7.66
10	A'	1587	1429	9.63
11	A'	1567	1411	7.81
12	A'	1526	1374	34.89
13	A'	1411	1270	39.39
14	A'	1259	1134	103.36
15	A'	1238	1115	174.65
16	A'	1178	1060	9.86
17	A'	1110	1000	16.34
18	A'	958	862	25.11
19	A'	726	654	92.42
20	A'	494	445	1.10
21	A'	384	345	5.19
22	A'	272	245	5.73
23	A'	125	113	2.23
24	A"	3430	3088	14.08
25	A"	3312	2982	66.39
26	A"	3275	2949	55.63
27	A"	3238	2916	52.87
28	A"	1632	1470	7.69
29	A"	1425	1283	2.39
30	A"	1415	1274	0.47
31	A"	1318	1187	12.03
32	A"	1286	1158	4.40
33	A"	1146	1032	1.23
34	A"	907	817	1.22
35	A"	888	799	0.38
36	A"	258	232	2.42
37	A"	158	143	19.27
38	A"	86	78	3.68
39	A"	60	54	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	-1.338	-0.270	0.000
Cl2	-2.714	1.008	0.000
C3	0.000	0.444	0.000
C4	3.233	-1.420	0.000
C5	2.364	-0.173	0.000
O6	0.986	-0.591	0.000
H7	4.284	-1.150	0.000
H8	-1.480	-0.860	0.885
H9	-1.480	-0.860	-0.885
H10	0.101	1.069	-0.881
H11	0.101	1.069	0.881
H12	3.029	-2.020	-0.877
H13	3.029	-2.020	0.877
H14	2.554	0.436	0.880
H15	2.554	0.436	-0.880

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8780	1.5166	4.7134	3.7035	2.3463	5.6902	1.0736	1.0736	2.1538	2.1538	4.7858	4.7858	4.0524	4.0524
Cl2	1.8780		2.7720	6.4237	5.2139	4.0312	7.3232	2.4076	2.4076	2.9504	2.9504	6.5517	6.5517	5.3721	5.3721
C3	1.5166	2.7720		3.7321	2.4435	1.4301	4.5709	2.1626	2.1626	1.0845	1.0845	4.0024	4.0024	2.7018	2.7018
C4	4.7134	6.4237	3.7321		1.5200	2.3948	1.0849	4.8284	4.8284	4.0963	4.0963	1.0825	1.0825	2.1629	2.1629
C5	3.7035	5.2139	2.4435	1.5200		1.4402	2.1540	4.0047	4.0047	2.7276	2.7276	2.1506	2.1506	1.0866	1.0866
O6	2.3463	4.0312	1.4301	2.3948	1.4402		3.3446	2.6344	2.6344	2.0774	2.0774	2.6429	2.6429	2.0708	2.0708
H7	5.6902	7.3232	4.5709	1.0849	2.1540	3.3446		5.8390	5.8390	4.8161	4.8161	1.7611	1.7611	2.5060	2.5060
H8	1.0736	2.4076	2.1626	4.8284	4.0047	2.6344	5.8390		1.7709	3.0564	2.4944	4.9788	4.6562	4.2376	4.5907
H9	1.0736	2.4076	2.1626	4.8284	4.0047	2.6344	5.8390	1.7709		2.4944	3.0564	4.6562	4.9788	4.5907	4.2376
H10	2.1538	2.9504	1.0845	4.0963	2.7276	2.0774	4.8161	3.0564	2.4944		1.7616	4.2562	4.6051	3.0856	2.5337
H11	2.1538	2.9504	1.0845	4.0963	2.7276	2.0774	4.8161	2.4944	3.0564	1.7616		4.6051	4.2562	2.5337	3.0856
H12	4.7858	6.5517	4.0024	1.0825	2.1506	2.6429	1.7611	4.9788	4.6562	4.2562	4.6051		1.7549	3.0569	2.5011
H13	4.7858	6.5517	4.0024	1.0825	2.1506	2.6429	1.7611	4.6562	4.9788	4.6051	4.2562	1.7549		2.5011	3.0569
H14	4.0524	5.3721	2.7018	2.1629	1.0866	2.0708	2.5060	4.2376	4.5907	3.0856	2.5337	3.0569	2.5011		1.7604
H15	4.0524	5.3721	2.7018	2.1629	1.0866	2.0708	2.5060	4.5907	4.2376	2.5337	3.0856	2.5011	3.0569	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	105.507	C1	C3	H10	110.697
C1	C3	H11	110.697	Cl2	C1	C3	109.024
Cl2	C1	H8	106.077	Cl2	C1	H9	106.077
C3	C1	H8	112.082	C3	C1	H9	112.082
C3	O6	C5	116.706	C4	C5	O6	107.963
C4	C5	H14	111.057	C4	C5	H15	111.057
C5	C4	H7	110.455	C5	C4	H12	110.321
C5	C4	H13	110.321	O6	C3	H10	110.655
O6	C3	H11	110.655	O6	C5	H14	109.270
O6	C5	H15	109.270	H7	C4	H12	108.690
H7	C4	H13	108.690	H8	C1	H9	111.117
H10	C3	H11	108.625	H12	C4	H13	108.307
H14	C5	H15	108.197

All results from a given calculation for C₄H₉ClO (1-Chloro-2-ethoxyethane)

using model chemistry: HF/SDD

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	-0.428
2	Cl	-0.171
3	C	0.002
4	C	-0.559
5	C	-0.028
6	O	-0.524
7	H	0.165
8	H	0.242
9	H	0.242
10	H	0.178
11	H	0.178
12	H	0.192
13	H	0.192
14	H	0.161
15	H	0.161

	x	y	z	Total
	3.070	-0.142	0.000	3.073
CHELPG
AIM
ESP

	x	y	z
x	9.710	-1.839	0.000
y	-1.839	7.334	0.000
z	0.000	0.000	5.891

<r²>	377.088
(<r²>)^1/2	19.419

All results from a given calculation for C4H9ClO (1-Chloro-2-ethoxyethane)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₄H₉ClO (1-Chloro-2-ethoxyethane)