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	hartrees
Energy at 0K	-692.850402
Energy at 298.15K	-692.860765
Nuclear repulsion energy	290.969628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3012	22.23
2	A'	3136	2982	14.91
3	A'	3084	2933	15.40
4	A'	3015	2868	54.26
5	A'	3000	2853	30.87
6	A'	1565	1488	1.80
7	A'	1544	1469	5.73
8	A'	1528	1453	4.52
9	A'	1519	1444	3.65
10	A'	1473	1401	13.11
11	A'	1431	1361	19.19
12	A'	1404	1335	25.56
13	A'	1307	1243	23.28
14	A'	1208	1148	236.36
15	A'	1175	1118	24.71
16	A'	1097	1043	2.71
17	A'	1074	1022	14.84
18	A'	923	878	11.22
19	A'	788	750	46.39
20	A'	484	460	0.61
21	A'	382	364	2.69
22	A'	269	256	3.44
23	A'	123	117	1.38
24	A"	3202	3045	7.07
25	A"	3170	3015	23.65
26	A"	3052	2903	34.83
27	A"	3033	2884	68.80
28	A"	1511	1437	6.43
29	A"	1318	1253	2.12
30	A"	1314	1250	0.59
31	A"	1238	1177	5.42
32	A"	1196	1137	4.24
33	A"	1084	1031	2.65
34	A"	831	791	1.12
35	A"	812	772	0.36
36	A"	257	245	0.93
37	A"	156	148	7.82
38	A"	87	82	2.07
39	A"	59	56	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-1.377	-0.237	0.000
Cl2	-2.643	1.006	0.000
C3	0.000	0.406	0.000
C4	3.222	-1.371	0.000
C5	2.291	-0.171	0.000
O6	0.950	-0.641	0.000
H7	4.264	-1.036	0.000
H8	-1.503	-0.862	0.887
H9	-1.503	-0.862	-0.887
H10	0.111	1.043	-0.890
H11	0.111	1.043	0.890
H12	3.052	-1.984	-0.889
H13	3.052	-1.984	0.889
H14	2.468	0.450	0.891
H15	2.468	0.450	-0.891

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7745	1.5202	4.7370	3.6684	2.3615	5.6972	1.0919	1.0919	2.1559	2.1559	4.8432	4.8432	4.0069	4.0069
Cl2	1.7745		2.7102	6.3286	5.0720	3.9521	7.2024	2.3617	2.3617	2.8945	2.8945	6.4931	6.4931	5.2182	5.2182
C3	1.5202	2.7102		3.6799	2.3622	1.4136	4.5012	2.1574	2.1574	1.1005	1.1005	3.9770	3.9770	2.6248	2.6248
C4	4.7370	6.3286	3.6799		1.5195	2.3871	1.0942	4.8344	4.8344	4.0376	4.0376	1.0932	1.0932	2.1629	2.1629
C5	3.6684	5.0720	2.3622	1.5195		1.4211	2.1546	3.9567	3.9567	2.6491	2.6491	2.1581	2.1581	1.1005	1.1005
O6	2.3615	3.9521	1.4136	2.3871	1.4211		3.3377	2.6172	2.6172	2.0815	2.0815	2.6483	2.6483	2.0714	2.0714
H7	5.6972	7.2024	4.5012	1.0942	2.1546	3.3377		5.8370	5.8370	4.7290	4.7290	1.7769	1.7769	2.4952	2.4952
H8	1.0919	2.3617	2.1574	4.8344	3.9567	2.6172	5.8370		1.7730	3.0650	2.4973	5.0157	4.6907	4.1824	4.5447
H9	1.0919	2.3617	2.1574	4.8344	3.9567	2.6172	5.8370	1.7730		2.4973	3.0650	4.6907	5.0157	4.5447	4.1824
H10	2.1559	2.8945	1.1005	4.0376	2.6491	2.0815	4.7290	3.0650	2.4973		1.7810	4.2203	4.5803	3.0141	2.4310
H11	2.1559	2.8945	1.1005	4.0376	2.6491	2.0815	4.7290	2.4973	3.0650	1.7810		4.5803	4.2203	2.4310	3.0141
H12	4.8432	6.4931	3.9770	1.0932	2.1581	2.6483	1.7769	5.0157	4.6907	4.2203	4.5803		1.7789	3.0713	2.5022
H13	4.8432	6.4931	3.9770	1.0932	2.1581	2.6483	1.7769	4.6907	5.0157	4.5803	4.2203	1.7789		2.5022	3.0713
H14	4.0069	5.2182	2.6248	2.1629	1.1005	2.0714	2.4952	4.1824	4.5447	3.0141	2.4310	3.0713	2.5022		1.7829
H15	4.0069	5.2182	2.6248	2.1629	1.1005	2.0714	2.4952	4.5447	4.1824	2.4310	3.0141	2.5022	3.0713	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.150	C1	C3	H10	109.660
C1	C3	H11	109.660	Cl2	C1	C3	110.452
Cl2	C1	H8	108.603	Cl2	C1	H9	108.603
C3	C1	H8	110.284	C3	C1	H9	110.284
C3	O6	C5	112.879	C4	C5	O6	108.487
C4	C5	H14	110.263	C4	C5	H15	110.263
C5	C4	H7	109.979	C5	C4	H12	110.309
C5	C4	H13	110.309	O6	C3	H10	111.165
O6	C3	H11	111.165	O6	C5	H14	109.812
O6	C5	H15	109.812	H7	C4	H12	108.653
H7	C4	H13	108.653	H8	C1	H9	108.558
H10	C3	H11	108.034	H12	C4	H13	108.895
H14	C5	H15	108.201

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

using model chemistry: HSEh1PBE/6-31G*

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	-0.447
2	Cl	-0.070
3	C	-0.048
4	C	-0.529
5	C	-0.060
6	O	-0.475
7	H	0.173
8	H	0.229
9	H	0.229
10	H	0.164
11	H	0.164
12	H	0.186
13	H	0.186
14	H	0.149
15	H	0.149

	x	y	z	Total
	2.124	-0.311	0.000	2.147
CHELPG
AIM
ESP

	x	y	z
x	10.565	-1.413	0.000
y	-1.413	7.872	0.000
z	0.000	0.000	6.881

<r²>	363.397
(<r²>)^1/2	19.063

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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