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	hartrees
Energy at 0K	-693.378170
Energy at 298.15K	-693.388472
Nuclear repulsion energy	289.806067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3098	2996	24.53
2	A'	3086	2984	12.54
3	A'	3033	2933	17.98
4	A'	2973	2875	54.00
5	A'	2956	2859	35.01
6	A'	1532	1482	3.49
7	A'	1518	1468	3.87
8	A'	1502	1452	4.33
9	A'	1495	1445	2.35
10	A'	1444	1397	8.17
11	A'	1410	1363	6.62
12	A'	1386	1340	20.59
13	A'	1281	1239	18.60
14	A'	1155	1117	94.02
15	A'	1136	1099	184.27
16	A'	1067	1032	1.43
17	A'	1034	1000	14.75
18	A'	898	868	14.86
19	A'	749	724	44.73
20	A'	477	462	0.37
21	A'	376	363	2.24
22	A'	264	255	2.78
23	A'	123	119	1.19
24	A"	3146	3042	4.72
25	A"	3103	3001	26.79
26	A"	3002	2903	28.22
27	A"	2981	2883	53.71
28	A"	1486	1437	6.65
29	A"	1302	1259	2.68
30	A"	1299	1256	0.30
31	A"	1217	1177	4.82
32	A"	1178	1139	2.76
33	A"	1058	1023	1.32
34	A"	824	797	0.64
35	A"	802	775	0.29
36	A"	246	238	0.72
37	A"	146	142	7.50
38	A"	88	85	2.23
39	A"	57	55	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-1.366	-0.256	0.000
Cl2	-2.662	0.995	0.000
C3	0.000	0.404	0.000
C4	3.234	-1.353	0.000
C5	2.299	-0.161	0.000
O6	0.959	-0.630	0.000
H7	4.272	-1.016	0.000
H8	-1.507	-0.867	0.887
H9	-1.507	-0.867	-0.887
H10	0.110	1.041	-0.886
H11	0.110	1.041	0.886
H12	3.073	-1.970	-0.884
H13	3.073	-1.970	0.884
H14	2.470	0.467	0.885
H15	2.470	0.467	-0.885

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8013	1.5169	4.7291	3.6662	2.3550	5.6887	1.0861	1.0861	2.1559	2.1559	4.8390	4.8390	4.0021	4.0021
Cl2	1.8013		2.7264	6.3461	5.0936	3.9689	7.2192	2.3631	2.3631	2.9106	2.9106	6.5154	6.5154	5.2337	5.2337
C3	1.5169	2.7264		3.6806	2.3676	1.4105	4.5018	2.1618	2.1618	1.0972	1.0972	3.9819	3.9819	2.6242	2.6242
C4	4.7291	6.3461	3.6806		1.5147	2.3870	1.0908	4.8485	4.8485	4.0342	4.0342	1.0899	1.0899	2.1628	2.1628
C5	3.6662	5.0936	2.3676	1.5147		1.4195	2.1501	3.9717	3.9717	2.6498	2.6498	2.1564	2.1564	1.0983	1.0983
O6	2.3550	3.9689	1.4105	2.3870	1.4195		3.3350	2.6321	2.6321	2.0735	2.0735	2.6535	2.6535	2.0657	2.0657
H7	5.6887	7.2192	4.5018	1.0908	2.1501	3.3350		5.8490	5.8490	4.7261	4.7261	1.7688	1.7688	2.4959	2.4959
H8	1.0861	2.3631	2.1618	4.8485	3.9717	2.6321	5.8490		1.7744	3.0662	2.5012	5.0329	4.7110	4.1946	4.5536
H9	1.0861	2.3631	2.1618	4.8485	3.9717	2.6321	5.8490	1.7744		2.5012	3.0662	4.7110	5.0329	4.5536	4.1946
H10	2.1559	2.9106	1.0972	4.0342	2.6498	2.0735	4.7261	3.0662	2.5012		1.7729	4.2236	4.5795	3.0056	2.4282
H11	2.1559	2.9106	1.0972	4.0342	2.6498	2.0735	4.7261	2.5012	3.0662	1.7729		4.5795	4.2236	2.4282	3.0056
H12	4.8390	6.5154	3.9819	1.0899	2.1564	2.6535	1.7688	5.0329	4.7110	4.2236	4.5795		1.7676	3.0704	2.5098
H13	4.8390	6.5154	3.9819	1.0899	2.1564	2.6535	1.7688	4.7110	5.0329	4.5795	4.2236	1.7676		2.5098	3.0704
H14	4.0021	5.2337	2.6242	2.1628	1.0983	2.0657	2.4959	4.1946	4.5536	3.0056	2.4282	3.0704	2.5098		1.7697
H15	4.0021	5.2337	2.6242	2.1628	1.0983	2.0657	2.4959	4.5536	4.1946	2.4282	3.0056	2.5098	3.0704	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.061	C1	C3	H10	110.077
C1	C3	H11	110.077	Cl2	C1	C3	110.204
Cl2	C1	H8	107.248	Cl2	C1	H9	107.248
C3	C1	H8	111.217	C3	C1	H9	111.217
C3	O6	C5	113.565	C4	C5	O6	108.838
C4	C5	H14	110.718	C4	C5	H15	110.718
C5	C4	H7	110.156	C5	C4	H12	110.709
C5	C4	H13	110.709	O6	C3	H10	110.929
O6	C3	H11	110.929	O6	C5	H14	109.600
O6	C5	H15	109.600	H7	C4	H12	108.415
H7	C4	H13	108.415	H8	C1	H9	109.549
H10	C3	H11	107.782	H12	C4	H13	108.362
H14	C5	H15	107.349

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.370
2	Cl	-0.288
3	C	0.234
4	C	-0.481
5	C	0.122
6	O	-0.588
7	H	0.142
8	H	0.180
9	H	0.180
10	H	0.155
11	H	0.155
12	H	0.145
13	H	0.145
14	H	0.135
15	H	0.135

	x	y	z	Total
	2.094	-0.246	0.000	2.108
CHELPG
AIM
ESP

	x	y	z
x	13.162	-1.538	0.000
y	-1.538	10.113	0.000
z	0.000	0.000	8.794

<r²>	367.845
(<r²>)^1/2	19.179

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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