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	hartrees
Energy at 0K	-693.294238
Energy at 298.15K
HF Energy	-693.294238
Nuclear repulsion energy	291.080484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3005	22.97
2	A'	3123	2988	12.71
3	A'	3064	2931	17.80
4	A'	3001	2871	55.45
5	A'	2989	2859	33.96
6	A'	1522	1456	4.84
7	A'	1507	1441	2.97
8	A'	1494	1429	4.30
9	A'	1488	1424	3.40
10	A'	1453	1390	7.83
11	A'	1407	1346	19.68
12	A'	1386	1325	13.13
13	A'	1283	1227	14.25
14	A'	1192	1140	249.90
15	A'	1162	1111	26.62
16	A'	1086	1039	4.00
17	A'	1063	1016	13.97
18	A'	910	871	12.13
19	A'	778	744	42.10
20	A'	485	464	0.57
21	A'	383	367	2.26
22	A'	268	256	2.84
23	A'	121	116	1.15
24	A"	3188	3050	4.12
25	A"	3147	3011	24.69
26	A"	3038	2906	22.68
27	A"	3020	2889	58.29
28	A"	1484	1419	7.08
29	A"	1311	1254	2.94
30	A"	1302	1246	0.27
31	A"	1215	1163	4.56
32	A"	1176	1125	3.12
33	A"	1053	1007	1.54
34	A"	813	777	0.74
35	A"	791	757	0.18
36	A"	214	205	1.14
37	A"	134	128	7.61
38	A"	52	50	0.01
39	A"	76i	73i	1.99

Atom	x (Å)	y (Å)	z (Å)
C1	-1.363	-0.259	0.000
Cl2	-2.656	0.981	0.000
C3	0.000	0.401	0.000
C4	3.231	-1.332	0.000
C5	2.290	-0.150	0.000
O6	0.958	-0.629	0.000
H7	4.267	-0.993	0.000
H8	-1.497	-0.871	0.887
H9	-1.497	-0.871	-0.887
H10	0.113	1.036	-0.886
H11	0.113	1.036	0.886
H12	3.068	-1.947	-0.884
H13	3.068	-1.947	0.884
H14	2.452	0.478	0.885
H15	2.452	0.478	-0.885

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7921	1.5141	4.7178	3.6541	2.3503	5.6776	1.0855	1.0855	2.1541	2.1541	4.8227	4.8227	3.9845	3.9845
Cl2	1.7921		2.7189	6.3258	5.0736	3.9569	7.1994	2.3580	2.3580	2.9080	2.9080	6.4898	6.4898	5.2084	5.2084
C3	1.5141	2.7189		3.6668	2.3550	1.4067	4.4891	2.1548	2.1548	1.0962	1.0962	3.9628	3.9628	2.6077	2.6077
C4	4.7178	6.3258	3.6668		1.5116	2.3794	1.0900	4.8328	4.8328	4.0148	4.0148	1.0891	1.0891	2.1604	2.1604
C5	3.6541	5.0736	2.3550	1.5116		1.4151	2.1498	3.9552	3.9552	2.6326	2.6326	2.1484	2.1484	1.0969	1.0969
O6	2.3503	3.9569	1.4067	2.3794	1.4151		3.3289	2.6215	2.6215	2.0669	2.0669	2.6397	2.6397	2.0587	2.0587
H7	5.6776	7.1994	4.4891	1.0900	2.1498	3.3289		5.8331	5.8331	4.7075	4.7075	1.7692	1.7692	2.4985	2.4985
H8	1.0855	2.3580	2.1548	4.8328	3.9552	2.6215	5.8331		1.7739	3.0610	2.4950	5.0129	4.6897	4.1724	4.5330
H9	1.0855	2.3580	2.1548	4.8328	3.9552	2.6215	5.8331	1.7739		2.4950	3.0610	4.6897	5.0129	4.5330	4.1724
H10	2.1541	2.9080	1.0962	4.0148	2.6326	2.0669	4.7075	3.0610	2.4950		1.7729	4.1984	4.5565	2.9865	2.4045
H11	2.1541	2.9080	1.0962	4.0148	2.6326	2.0669	4.7075	2.4950	3.0610	1.7729		4.5565	4.1984	2.4045	2.9865
H12	4.8227	6.4898	3.9628	1.0891	2.1484	2.6397	1.7692	5.0129	4.6897	4.1984	4.5565		1.7681	3.0639	2.5016
H13	4.8227	6.4898	3.9628	1.0891	2.1484	2.6397	1.7692	4.6897	5.0129	4.5565	4.1984	1.7681		2.5016	3.0639
H14	3.9845	5.2084	2.6077	2.1604	1.0969	2.0587	2.4985	4.1724	4.5330	2.9865	2.4045	3.0639	2.5016		1.7698
H15	3.9845	5.2084	2.6077	2.1604	1.0969	2.0587	2.4985	4.5330	4.1724	2.4045	2.9865	2.5016	3.0639	1.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.098	C1	C3	H10	110.189
C1	C3	H11	110.189	Cl2	C1	C3	110.357
Cl2	C1	H8	107.497	Cl2	C1	H9	107.497
C3	C1	H8	110.893	C3	C1	H9	110.893
C3	O6	C5	113.148	C4	C5	O6	108.743
C4	C5	H14	110.830	C4	C5	H15	110.830
C5	C4	H7	110.401	C5	C4	H12	110.351
C5	C4	H13	110.351	O6	C3	H10	110.727
O6	C3	H11	110.727	O6	C5	H14	109.432
O6	C5	H15	109.432	H7	C4	H12	108.570
H7	C4	H13	108.570	H8	C1	H9	109.584
H10	C3	H11	107.928	H12	C4	H13	108.539
H14	C5	H15	107.552

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-0.265
2	Cl	-0.328
3	C	-0.316
4	C	-0.929
5	C	-0.185
6	O	-0.439
7	H	0.298
8	H	0.221
9	H	0.221
10	H	0.328
11	H	0.328
12	H	0.245
13	H	0.245
14	H	0.288
15	H	0.288

	x	y	z	Total
	2.089	-0.277	0.000	2.107
CHELPG
AIM
ESP

	x	y	z
x	12.919	-1.401	0.000
y	-1.401	10.166	0.000
z	0.000	0.000	8.913

<r²>	363.975
(<r²>)^1/2	19.078

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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