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	hartrees
Energy at 0K	-693.294636
Energy at 298.15K	-693.304976
Nuclear repulsion energy	291.066078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3009	24.75
2	A'	3122	2987	16.11
3	A'	3065	2932	17.13
4	A'	3004	2873	56.57
5	A'	2989	2859	32.30
6	A'	1538	1472	3.69
7	A'	1520	1455	4.17
8	A'	1504	1439	4.26
9	A'	1495	1431	3.46
10	A'	1457	1394	10.04
11	A'	1412	1350	24.22
12	A'	1389	1329	13.02
13	A'	1297	1241	20.89
14	A'	1188	1137	242.93
15	A'	1165	1115	32.99
16	A'	1091	1044	2.50
17	A'	1063	1017	17.03
18	A'	915	875	13.31
19	A'	779	745	48.86
20	A'	480	459	0.62
21	A'	378	362	2.56
22	A'	267	255	3.26
23	A'	121	116	1.47
24	A"	3188	3050	7.60
25	A"	3147	3011	27.23
26	A"	3040	2908	32.87
27	A"	3021	2890	63.42
28	A"	1483	1419	7.85
29	A"	1308	1251	4.15
30	A"	1305	1249	0.46
31	A"	1226	1173	4.28
32	A"	1184	1133	4.76
33	A"	1071	1025	3.99
34	A"	827	791	1.05
35	A"	809	774	0.45
36	A"	252	241	1.01
37	A"	150	143	7.91
38	A"	79	75	2.06
39	A"	56	54	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.351	-0.273	0.000
Cl2	-2.663	0.946	0.000
C3	0.000	0.407	0.000
C4	3.233	-1.300	0.000
C5	2.287	-0.123	0.000
O6	0.963	-0.613	0.000
H7	4.270	-0.957	0.000
H8	-1.475	-0.887	0.888
H9	-1.475	-0.887	-0.888
H10	0.099	1.047	-0.888
H11	0.099	1.047	0.888
H12	3.072	-1.918	-0.885
H13	3.072	-1.918	0.885
H14	2.451	0.508	0.886
H15	2.451	0.508	-0.886

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7913	1.5123	4.6975	3.6409	2.3386	5.6619	1.0875	1.0875	2.1523	2.1523	4.8012	4.8012	3.9812	3.9812
Cl2	1.7913		2.7175	6.3097	5.0645	3.9474	7.1895	2.3587	2.3587	2.9033	2.9033	6.4716	6.4716	5.2092	5.2092
C3	1.5123	2.7175		3.6558	2.3475	1.4029	4.4821	2.1544	2.1544	1.0989	1.0989	3.9529	3.9529	2.6083	2.6083
C4	4.6975	6.3097	3.6558		1.5099	2.3717	1.0918	4.8091	4.8091	4.0146	4.0146	1.0911	1.0911	2.1595	2.1595
C5	3.6409	5.0645	2.3475	1.5099		1.4122	2.1509	3.9406	3.9406	2.6352	2.6352	2.1497	2.1497	1.0998	1.0998
O6	2.3386	3.9474	1.4029	2.3717	1.4122		3.3246	2.6093	2.6093	2.0716	2.0716	2.6331	2.6331	2.0634	2.0634
H7	5.6619	7.1895	4.4821	1.0918	2.1509	3.3246		5.8136	5.8136	4.7115	4.7115	1.7720	1.7720	2.4974	2.4974
H8	1.0875	2.3587	2.1544	4.8091	3.9406	2.6093	5.8136		1.7770	3.0620	2.4941	4.9883	4.6626	4.1670	4.5290
H9	1.0875	2.3587	2.1544	4.8091	3.9406	2.6093	5.8136	1.7770		2.4941	3.0620	4.6626	4.9883	4.5290	4.1670
H10	2.1523	2.9033	1.0989	4.0146	2.6352	2.0716	4.7115	3.0620	2.4941		1.7756	4.1989	4.5576	2.9949	2.4132
H11	2.1523	2.9033	1.0989	4.0146	2.6352	2.0716	4.7115	2.4941	3.0620	1.7756		4.5576	4.1989	2.4132	2.9949
H12	4.8012	6.4716	3.9529	1.0911	2.1497	2.6331	1.7720	4.9883	4.6626	4.1989	4.5576		1.7690	3.0667	2.5041
H13	4.8012	6.4716	3.9529	1.0911	2.1497	2.6331	1.7720	4.6626	4.9883	4.5576	4.1989	1.7690		2.5041	3.0667
H14	3.9812	5.2092	2.6083	2.1595	1.0998	2.0634	2.4974	4.1670	4.5290	2.9949	2.4132	3.0667	2.5041		1.7718
H15	3.9812	5.2092	2.6083	2.1595	1.0998	2.0634	2.4974	4.5290	4.1670	2.4132	2.9949	2.5041	3.0667	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.618	C1	C3	H10	110.015
C1	C3	H11	110.015	Cl2	C1	C3	110.405
Cl2	C1	H8	107.506	Cl2	C1	H9	107.506
C3	C1	H8	110.870	C3	C1	H9	110.870
C3	O6	C5	113.002	C4	C5	O6	108.466
C4	C5	H14	110.699	C4	C5	H15	110.699
C5	C4	H7	110.498	C5	C4	H12	110.440
C5	C4	H13	110.440	O6	C3	H10	111.214
O6	C3	H11	111.214	O6	C5	H14	109.829
O6	C5	H15	109.829	H7	C4	H12	108.540
H7	C4	H13	108.540	H8	C1	H9	109.567
H10	C3	H11	107.779	H12	C4	H13	108.316
H14	C5	H15	107.315

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

using model chemistry: mPW1PW91/6-311G**

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	-0.338
2	Cl	-0.110
3	C	-0.006
4	C	-0.348
5	C	-0.043
6	O	-0.374
7	H	0.120
8	H	0.188
9	H	0.188
10	H	0.124
11	H	0.124
12	H	0.130
13	H	0.130
14	H	0.107
15	H	0.107

	x	y	z	Total
	2.199	-0.267	0.000	2.215
CHELPG
AIM
ESP

	x	y	z
x	11.396	-1.599	0.000
y	-1.599	8.531	0.000
z	0.000	0.000	7.168

<r²>	363.887
(<r²>)^1/2	19.076

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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