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	hartrees
Energy at 0K	-689.784244
Energy at 298.15K	-689.794419
Nuclear repulsion energy	284.471969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3044	6.25
2	A'	3136	3026	20.91
3	A'	3068	2961	12.55
4	A'	3020	2914	30.92
5	A'	2998	2893	31.61
6	A'	1596	1540	2.07
7	A'	1581	1526	4.67
8	A'	1569	1514	8.76
9	A'	1537	1483	5.22
10	A'	1461	1410	12.00
11	A'	1458	1406	3.46
12	A'	1386	1337	36.86
13	A'	1277	1233	27.03
14	A'	1157	1117	35.31
15	A'	1093	1054	153.77
16	A'	1060	1023	13.97
17	A'	997	962	5.20
18	A'	874	843	14.78
19	A'	684	660	61.51
20	A'	458	442	1.10
21	A'	356	344	4.16
22	A'	253	244	4.80
23	A'	116	112	2.19
24	A"	3230	3117	3.52
25	A"	3143	3033	23.93
26	A"	3055	2948	39.45
27	A"	3027	2921	49.51
28	A"	1551	1497	7.04
29	A"	1329	1283	0.08
30	A"	1320	1274	0.00
31	A"	1211	1169	6.43
32	A"	1180	1138	2.37
33	A"	1040	1003	1.11
34	A"	865	834	1.88
35	A"	831	802	1.52
36	A"	241	233	1.08
37	A"	139	134	8.96
38	A"	83	80	5.10
39	A"	55	53	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.335	-0.296	0.000
Cl2	-2.728	1.000	0.000
C3	0.000	0.434	0.000
C4	3.263	-1.370	0.000
C5	2.362	-0.136	0.000
O6	0.986	-0.636	0.000
H7	4.318	-1.077	0.000
H8	-1.473	-0.890	0.899
H9	-1.473	-0.890	-0.899
H10	0.085	1.070	-0.892
H11	0.085	1.070	0.892
H12	3.058	-1.975	-0.888
H13	3.058	-1.975	0.888
H14	2.545	0.483	0.890
H15	2.545	0.483	-0.890

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.9029	1.5216	4.7218	3.6997	2.3452	5.7062	1.0866	1.0866	2.1626	2.1626	4.7854	4.7854	4.0565	4.0565
Cl2	1.9029		2.7859	6.4430	5.2147	4.0581	7.3455	2.4404	2.4404	2.9515	2.9515	6.5660	6.5660	5.3727	5.3727
C3	1.5216	2.7859		3.7291	2.4295	1.4552	4.5748	2.1757	2.1757	1.0985	1.0985	3.9928	3.9928	2.6970	2.6970
C4	4.7218	6.4430	3.7291		1.5284	2.3930	1.0946	4.8450	4.8450	4.1053	4.1053	1.0935	1.0935	2.1782	2.1782
C5	3.6997	5.2147	2.4295	1.5284		1.4638	2.1708	4.0104	4.0104	2.7266	2.7266	2.1571	2.1571	1.1003	1.1003
O6	2.3452	4.0581	1.4552	2.3930	1.4638		3.3611	2.6306	2.6306	2.1255	2.1255	2.6218	2.6218	2.1162	2.1162
H7	5.7062	7.3455	4.5748	1.0946	2.1708	3.3611		5.8635	5.8635	4.8295	4.8295	1.7837	1.7837	2.5239	2.5239
H8	1.0866	2.4404	2.1757	4.8450	4.0104	2.6306	5.8635		1.7987	3.0786	2.5038	4.9901	4.6591	4.2468	4.6085
H9	1.0866	2.4404	2.1757	4.8450	4.0104	2.6306	5.8635	1.7987		2.5038	3.0786	4.6591	4.9901	4.6085	4.2468
H10	2.1626	2.9515	1.0985	4.1053	2.7266	2.1255	4.8295	3.0786	2.5038		1.7841	4.2554	4.6127	3.0944	2.5295
H11	2.1626	2.9515	1.0985	4.1053	2.7266	2.1255	4.8295	2.5038	3.0786	1.7841		4.6127	4.2554	2.5295	3.0944
H12	4.7854	6.5660	3.9928	1.0935	2.1571	2.6218	1.7837	4.9901	4.6591	4.2554	4.6127		1.7756	3.0769	2.5110
H13	4.7854	6.5660	3.9928	1.0935	2.1571	2.6218	1.7837	4.6591	4.9901	4.6127	4.2554	1.7756		2.5110	3.0769
H14	4.0565	5.3727	2.6970	2.1782	1.1003	2.1162	2.5239	4.2468	4.6085	3.0944	2.5295	3.0769	2.5110		1.7810
H15	4.0565	5.3727	2.6970	2.1782	1.1003	2.1162	2.5239	4.6085	4.2468	2.5295	3.0944	2.5110	3.0769	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	103.942	C1	C3	H10	110.208
C1	C3	H11	110.208	Cl2	C1	C3	108.367
Cl2	C1	H8	106.197	Cl2	C1	H9	106.197
C3	C1	H8	111.980	C3	C1	H9	111.980
C3	O6	C5	112.674	C4	C5	O6	106.188
C4	C5	H14	110.866	C4	C5	H15	110.866
C5	C4	H7	110.616	C5	C4	H12	109.599
C5	C4	H13	109.599	O6	C3	H10	111.916
O6	C3	H11	111.916	O6	C5	H14	110.439
O6	C5	H15	110.439	H7	C4	H12	109.213
H7	C4	H13	109.213	H8	C1	H9	111.719
H10	C3	H11	108.598	H12	C4	H13	108.565
H14	C5	H15	108.062

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

using model chemistry: B3LYP/3-21G

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	ESP
1	C	-0.530	-0.170
2	Cl	-0.071	-0.227
3	C	-0.103	0.147
4	C	-0.572	-0.328
5	C	-0.126	0.292
6	O	-0.489	-0.414
7	H	0.189	0.085
8	H	0.264	0.159
9	H	0.264	0.159
10	H	0.199	0.051
11	H	0.199	0.051
12	H	0.208	0.100
13	H	0.208	0.100
14	H	0.181	-0.003
15	H	0.181	-0.003

	x	y	z	Total
	2.691	-0.440	0.000	2.727
CHELPG
AIM
ESP	2.699	-0.497	0.000	2.744

	x	y	z
x	10.667	-1.945	0.000
y	-1.945	7.469	0.000
z	0.000	0.000	6.120

<r²>	378.726
(<r²>)^1/2	19.461

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

using model chemistry: B3LYP/3-21G

States and conformations

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