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	hartrees
Energy at 0K	-692.826677
Energy at 298.15K	-692.836867
Nuclear repulsion energy	288.733118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3055	3024	27.64
2	A'	3027	2995	19.44
3	A'	2980	2949	19.91
4	A'	2902	2872	70.56
5	A'	2886	2856	34.27
6	A'	1499	1484	3.53
7	A'	1482	1466	2.87
8	A'	1469	1454	6.45
9	A'	1455	1440	2.35
10	A'	1409	1394	11.66
11	A'	1368	1354	16.99
12	A'	1346	1332	16.70
13	A'	1259	1246	21.59
14	A'	1131	1120	69.62
15	A'	1109	1098	193.75
16	A'	1054	1043	1.38
17	A'	1018	1007	18.33
18	A'	879	870	16.11
19	A'	741	733	46.10
20	A'	467	462	0.46
21	A'	367	363	2.42
22	A'	258	256	3.14
23	A'	119	118	1.46
24	A"	3089	3057	11.11
25	A"	3056	3024	31.38
26	A"	2932	2902	36.30
27	A"	2913	2882	80.88
28	A"	1451	1436	9.00
29	A"	1272	1259	2.84
30	A"	1268	1254	0.95
31	A"	1190	1178	3.28
32	A"	1149	1137	4.97
33	A"	1042	1032	4.64
34	A"	806	797	1.17
35	A"	789	781	0.49
36	A"	251	248	0.80
37	A"	147	146	6.80
38	A"	84	83	2.24
39	A"	56	55	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-0.273	0.000
Cl2	-2.681	0.963	0.000
C3	0.000	0.406	0.000
C4	3.256	-1.309	0.000
C5	2.302	-0.129	0.000
O6	0.967	-0.631	0.000
H7	4.301	-0.963	0.000
H8	-1.490	-0.893	0.896
H9	-1.490	-0.893	-0.896
H10	0.105	1.053	-0.896
H11	0.105	1.053	0.896
H12	3.098	-1.935	-0.891
H13	3.098	-1.935	0.891
H14	2.465	0.510	0.893
H15	2.465	0.510	-0.893

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8082	1.5206	4.7317	3.6659	2.3548	5.7035	1.0972	1.0972	2.1695	2.1695	4.8411	4.8411	4.0055	4.0055
Cl2	1.8082		2.7381	6.3570	5.1016	3.9806	7.2426	2.3802	2.3802	2.9275	2.9275	6.5258	6.5258	5.2422	5.2422
C3	1.5206	2.7381		3.6804	2.3638	1.4177	4.5136	2.1705	2.1705	1.1097	1.1097	3.9840	3.9840	2.6237	2.6237
C4	4.7317	6.3570	3.6804		1.5175	2.3878	1.1009	4.8477	4.8477	4.0391	4.0391	1.1002	1.1002	2.1763	2.1763
C5	3.6659	5.1016	2.3638	1.5175		1.4268	2.1655	3.9710	3.9710	2.6513	2.6513	2.1653	2.1653	1.1105	1.1105
O6	2.3548	3.9806	1.4177	2.3878	1.4268		3.3507	2.6280	2.6280	2.0929	2.0929	2.6527	2.6527	2.0843	2.0843
H7	5.7035	7.2426	4.5136	1.1009	2.1655	3.3507		5.8602	5.8602	4.7407	4.7407	1.7851	1.7851	2.5180	2.5180
H8	1.0972	2.3802	2.1705	4.8477	3.9710	2.6280	5.8602		1.7910	3.0886	2.5163	5.0325	4.7047	4.1964	4.5618
H9	1.0972	2.3802	2.1705	4.8477	3.9710	2.6280	5.8602	1.7910		2.5163	3.0886	4.7047	5.0325	4.5618	4.1964
H10	2.1695	2.9275	1.1097	4.0391	2.6513	2.0929	4.7407	3.0886	2.5163		1.7911	4.2294	4.5912	3.0107	2.4215
H11	2.1695	2.9275	1.1097	4.0391	2.6513	2.0929	4.7407	2.5163	3.0886	1.7911		4.5912	4.2294	2.4215	3.0107
H12	4.8411	6.5258	3.9840	1.1002	2.1653	2.6527	1.7851	5.0325	4.7047	4.2294	4.5912		1.7822	3.0928	2.5260
H13	4.8411	6.5258	3.9840	1.1002	2.1653	2.6527	1.7851	4.7047	5.0325	4.5912	4.2294	1.7822		2.5260	3.0928
H14	4.0055	5.2422	2.6237	2.1763	1.1105	2.0843	2.5180	4.1964	4.5618	3.0107	2.4215	3.0928	2.5260		1.7868
H15	4.0055	5.2422	2.6237	2.1763	1.1105	2.0843	2.5180	4.5618	4.1964	2.4215	3.0107	2.5260	3.0928	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.473	C1	C3	H10	110.163
C1	C3	H11	110.163	Cl2	C1	C3	110.384
Cl2	C1	H8	107.482	Cl2	C1	H9	107.482
C3	C1	H8	110.982	C3	C1	H9	110.982
C3	O6	C5	112.403	C4	C5	O6	108.347
C4	C5	H14	110.858	C4	C5	H15	110.858
C5	C4	H7	110.585	C5	C4	H12	110.605
C5	C4	H13	110.605	O6	C3	H10	111.223
O6	C3	H11	111.223	O6	C5	H14	109.828
O6	C5	H15	109.828	H7	C4	H12	108.392
H7	C4	H13	108.392	H8	C1	H9	109.403
H10	C3	H11	107.619	H12	C4	H13	108.180
H14	C5	H15	107.118

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

using model chemistry: PBEPBE/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	-0.529
2	Cl	-0.083
3	C	-0.211
4	C	-0.654
5	C	-0.226
6	O	-0.301
7	H	0.216
8	H	0.270
9	H	0.270
10	H	0.208
11	H	0.208
12	H	0.224
13	H	0.224
14	H	0.192
15	H	0.192

	x	y	z	Total
	2.161	-0.336	0.000	2.187
CHELPG
AIM
ESP

	x	y	z
x	12.013	-1.698	0.000
y	-1.698	8.866	0.000
z	0.000	0.000	7.415

<r²>	369.342
(<r²>)^1/2	19.218

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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