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	hartrees
Energy at 0K	-692.767231
Energy at 298.15K	-692.777400
Nuclear repulsion energy	288.103439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3069	3034	20.45
2	A'	3032	2998	13.96
3	A'	2987	2953	18.57
4	A'	2909	2876	66.44
5	A'	2894	2861	38.36
6	A'	1482	1466	2.47
7	A'	1466	1449	3.02
8	A'	1455	1439	6.79
9	A'	1446	1430	2.70
10	A'	1395	1379	12.68
11	A'	1358	1343	11.74
12	A'	1333	1318	15.96
13	A'	1246	1232	19.49
14	A'	1125	1112	123.33
15	A'	1108	1095	136.49
16	A'	1049	1037	2.21
17	A'	1016	1005	18.60
18	A'	874	864	14.52
19	A'	742	734	43.19
20	A'	465	460	0.32
21	A'	367	363	2.37
22	A'	259	256	3.33
23	A'	120	119	1.36
24	A"	3099	3064	5.16
25	A"	3073	3038	22.49
26	A"	2946	2912	26.36
27	A"	2926	2893	71.87
28	A"	1438	1422	8.69
29	A"	1256	1242	2.73
30	A"	1252	1238	0.62
31	A"	1175	1161	4.47
32	A"	1136	1123	4.19
33	A"	1032	1020	2.44
34	A"	800	791	1.08
35	A"	782	773	0.35
36	A"	245	242	0.58
37	A"	145	143	7.26
38	A"	87	86	2.77
39	A"	58	58	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.373	-0.261	0.000
Cl2	-2.673	0.997	0.000
C3	0.000	0.403	0.000
C4	3.254	-1.345	0.000
C5	2.306	-0.156	0.000
O6	0.961	-0.646	0.000
H7	4.300	-0.996	0.000
H8	-1.511	-0.881	0.898
H9	-1.511	-0.881	-0.898
H10	0.112	1.048	-0.898
H11	0.112	1.048	0.898
H12	3.095	-1.969	-0.894
H13	3.095	-1.969	0.894
H14	2.472	0.482	0.896
H15	2.472	0.482	-0.896

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8092	1.5248	4.7517	3.6800	2.3653	5.7199	1.0997	1.0997	2.1732	2.1732	4.8660	4.8660	4.0169	4.0169
Cl2	1.8092		2.7383	6.3725	5.1103	3.9881	7.2518	2.3837	2.3837	2.9264	2.9264	6.5473	6.5473	5.2476	5.2476
C3	1.5248	2.7383		3.6930	2.3722	1.4221	4.5213	2.1766	2.1766	1.1112	1.1112	4.0004	4.0004	2.6304	2.6304
C4	4.7517	6.3725	3.6930		1.5207	2.3968	1.1026	4.8710	4.8710	4.0496	4.0496	1.1020	1.1020	2.1794	2.1794
C5	3.6800	5.1103	2.3722	1.5207		1.4312	2.1638	3.9878	3.9878	2.6583	2.6583	2.1706	2.1706	1.1120	1.1120
O6	2.3653	3.9881	1.4221	2.3968	1.4312		3.3569	2.6409	2.6409	2.0963	2.0963	2.6654	2.6654	2.0872	2.0872
H7	5.7199	7.2518	4.5213	1.1026	2.1638	3.3569		5.8812	5.8812	4.7454	4.7454	1.7884	1.7884	2.5153	2.5153
H8	1.0997	2.3837	2.1766	4.8710	3.9878	2.6409	5.8812		1.7953	3.0949	2.5209	5.0608	4.7332	4.2099	4.5761
H9	1.0997	2.3837	2.1766	4.8710	3.9878	2.6409	5.8812	1.7953		2.5209	3.0949	4.7332	5.0608	4.5761	4.2099
H10	2.1732	2.9264	1.1112	4.0496	2.6583	2.0963	4.7454	3.0949	2.5209		1.7955	4.2428	4.6055	3.0178	2.4268
H11	2.1732	2.9264	1.1112	4.0496	2.6583	2.0963	4.7454	2.5209	3.0949	1.7955		4.6055	4.2428	2.4268	3.0178
H12	4.8660	6.5473	4.0004	1.1020	2.1706	2.6654	1.7884	5.0608	4.7332	4.2428	4.6055		1.7874	3.0983	2.5291
H13	4.8660	6.5473	4.0004	1.1020	2.1706	2.6654	1.7884	4.7332	5.0608	4.6055	4.2428	1.7874		2.5291	3.0983
H14	4.0169	5.2476	2.6304	2.1794	1.1120	2.0872	2.5153	4.2099	4.5761	3.0178	2.4268	3.0983	2.5291		1.7920
H15	4.0169	5.2476	2.6304	2.1794	1.1120	2.0872	2.5153	4.5761	4.2099	2.4268	3.0178	2.5291	3.0983	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.719	C1	C3	H10	110.078
C1	C3	H11	110.078	Cl2	C1	C3	110.143
Cl2	C1	H8	107.544	Cl2	C1	H9	107.544
C3	C1	H8	111.028	C3	C1	H9	111.028
C3	O6	C5	112.487	C4	C5	O6	108.537
C4	C5	H14	110.793	C4	C5	H15	110.793
C5	C4	H7	110.121	C5	C4	H12	110.703
C5	C4	H13	110.703	O6	C3	H10	111.096
O6	C3	H11	111.096	O6	C5	H14	109.673
O6	C5	H15	109.673	H7	C4	H12	108.426
H7	C4	H13	108.426	H8	C1	H9	109.427
H10	C3	H11	107.791	H12	C4	H13	108.389
H14	C5	H15	107.362

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

using model chemistry: PBEPBE/6-31+G**

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	-0.484
2	Cl	-0.007
3	C	-0.244
4	C	-0.663
5	C	0.062
6	O	-0.268
7	H	0.170
8	H	0.225
9	H	0.225
10	H	0.162
11	H	0.162
12	H	0.185
13	H	0.185
14	H	0.145
15	H	0.145

	x	y	z	Total
	2.137	-0.265	0.000	2.153
CHELPG
AIM
ESP

	x	y	z
x	12.545	-1.530	0.000
y	-1.530	9.696	0.000
z	0.000	0.000	8.290

<r²>	370.917
(<r²>)^1/2	19.259

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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