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	hartrees
Energy at 0K	-690.873696
Energy at 298.15K	-690.883948
Nuclear repulsion energy	292.474878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3097	3040	10.13
2	A'	3032	2975	10.88
3	A'	3001	2945	9.32
4	A'	2891	2837	55.66
5	A'	2880	2826	27.42
6	A'	1484	1456	4.50
7	A'	1460	1433	5.27
8	A'	1446	1419	5.70
9	A'	1438	1411	3.43
10	A'	1401	1374	13.02
11	A'	1353	1327	33.53
12	A'	1325	1300	13.01
13	A'	1232	1209	0.87
14	A'	1210	1188	242.18
15	A'	1144	1122	15.14
16	A'	1083	1063	6.96
17	A'	1068	1048	18.02
18	A'	896	879	7.07
19	A'	787	773	36.44
20	A'	473	464	0.78
21	A'	376	369	2.90
22	A'	264	259	3.62
23	A'	118	116	1.36
24	A"	3099	3041	3.23
25	A"	3092	3034	12.04
26	A"	2924	2870	13.85
27	A"	2908	2854	81.82
28	A"	1424	1397	8.56
29	A"	1248	1225	1.11
30	A"	1245	1221	2.07
31	A"	1182	1160	6.06
32	A"	1141	1120	3.85
33	A"	1027	1008	2.67
34	A"	796	781	3.06
35	A"	785	771	0.53
36	A"	251	247	0.71
37	A"	155	152	6.00
38	A"	91	89	2.19
39	A"	56	55	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.354	-0.269	0.000
Cl2	-2.626	0.973	0.000
C3	0.000	0.382	0.000
C4	3.208	-1.296	0.000
C5	2.255	-0.139	0.000
O6	0.946	-0.640	0.000
H7	4.251	-0.943	0.000
H8	-1.483	-0.896	0.896
H9	-1.483	-0.896	-0.896
H10	0.106	1.039	-0.895
H11	0.106	1.039	0.895
H12	3.052	-1.923	-0.892
H13	3.052	-1.923	0.892
H14	2.415	0.510	0.893
H15	2.415	0.510	-0.893

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7780	1.5025	4.6764	3.6109	2.3294	5.6457	1.1011	1.1011	2.1544	2.1544	4.7902	4.7902	3.9507	3.9507
Cl2	1.7780		2.6920	6.2602	5.0061	3.9194	7.1396	2.3671	2.3671	2.8755	2.8755	6.4365	6.4365	5.1407	5.1407
C3	1.5025	2.6920		3.6206	2.3141	1.3928	4.4531	2.1533	2.1533	1.1148	1.1148	3.9276	3.9276	2.5778	2.5778
C4	4.6764	6.2602	3.6206		1.4990	2.3557	1.1013	4.7928	4.7928	3.9848	3.9848	1.1017	1.1017	2.1645	2.1645
C5	3.6109	5.0061	2.3141	1.4990		1.4016	2.1524	3.9174	3.9174	2.6091	2.6091	2.1480	2.1480	1.1151	1.1151
O6	2.3294	3.9194	1.3928	2.3557	1.4016		3.3196	2.6012	2.6012	2.0800	2.0800	2.6227	2.6227	2.0683	2.0683
H7	5.6457	7.1396	4.4531	1.1013	2.1524	3.3196		5.8042	5.8042	4.6814	4.6814	1.7876	1.7876	2.5056	2.5056
H8	1.1011	2.3671	2.1533	4.7928	3.9174	2.6012	5.8042		1.7912	3.0781	2.5040	4.9817	4.6500	4.1439	4.5132
H9	1.1011	2.3671	2.1533	4.7928	3.9174	2.6012	5.8042	1.7912		2.5040	3.0781	4.6500	4.9817	4.5132	4.1439
H10	2.1544	2.8755	1.1148	3.9848	2.6091	2.0800	4.6814	3.0781	2.5040		1.7893	4.1782	4.5441	2.9678	2.3693
H11	2.1544	2.8755	1.1148	3.9848	2.6091	2.0800	4.6814	2.5040	3.0781	1.7893		4.5441	4.1782	2.3693	2.9678
H12	4.7902	6.4365	3.9276	1.1017	2.1480	2.6227	1.7876	4.9817	4.6500	4.1782	4.5441		1.7839	3.0837	2.5148
H13	4.7902	6.4365	3.9276	1.1017	2.1480	2.6227	1.7876	4.6500	4.9817	4.5441	4.1782	1.7839		2.5148	3.0837
H14	3.9507	5.1407	2.5778	2.1645	1.1151	2.0683	2.5056	4.1439	4.5132	2.9678	2.3693	3.0837	2.5148		1.7852
H15	3.9507	5.1407	2.5778	2.1645	1.1151	2.0683	2.5056	4.5132	4.1439	2.3693	2.9678	2.5148	3.0837	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.071	C1	C3	H10	109.919
C1	C3	H11	109.919	Cl2	C1	C3	110.008
Cl2	C1	H8	108.303	Cl2	C1	H9	108.303
C3	C1	H8	110.651	C3	C1	H9	110.651
C3	O6	C5	111.813	C4	C5	O6	108.566
C4	C5	H14	110.942	C4	C5	H15	110.942
C5	C4	H7	110.809	C5	C4	H12	110.441
C5	C4	H13	110.441	O6	C3	H10	111.608
O6	C3	H11	111.608	O6	C5	H14	110.018
O6	C5	H15	110.018	H7	C4	H12	108.475
H7	C4	H13	108.475	H8	C1	H9	108.853
H10	C3	H11	106.736	H12	C4	H13	108.119
H14	C5	H15	106.349

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

using model chemistry: LSDA/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	-0.411
2	Cl	-0.054
3	C	-0.007
4	C	-0.449
5	C	-0.025
6	O	-0.406
7	H	0.144
8	H	0.200
9	H	0.200
10	H	0.129
11	H	0.129
12	H	0.158
13	H	0.158
14	H	0.116
15	H	0.116

	x	y	z	Total
	1.980	-0.434	0.000	2.027
CHELPG
AIM
ESP

	x	y	z
x	11.047	-1.466	0.000
y	-1.466	8.261	0.000
z	0.000	0.000	7.213

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G**

States and conformations

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