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	hartrees
Energy at 0K	-693.290424
Energy at 298.15K
HF Energy	-693.290424
Nuclear repulsion energy	291.167515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3005	23.57
2	A'	3124	2986	13.75
3	A'	3065	2930	17.81
4	A'	3000	2868	56.66
5	A'	2988	2856	32.65
6	A'	1527	1460	4.24
7	A'	1510	1444	3.62
8	A'	1495	1430	4.26
9	A'	1490	1425	3.65
10	A'	1456	1392	8.41
11	A'	1409	1347	22.30
12	A'	1387	1326	13.93
13	A'	1282	1226	13.92
14	A'	1195	1143	249.73
15	A'	1163	1112	26.23
16	A'	1087	1039	3.74
17	A'	1063	1016	13.99
18	A'	911	871	12.03
19	A'	780	745	41.73
20	A'	485	464	0.68
21	A'	383	366	2.36
22	A'	268	256	2.82
23	A'	120	115	1.18
24	A"	3188	3048	5.67
25	A"	3149	3010	25.34
26	A"	3037	2904	25.36
27	A"	3019	2887	63.64
28	A"	1484	1419	6.94
29	A"	1310	1252	3.65
30	A"	1302	1245	0.18
31	A"	1218	1164	5.06
32	A"	1178	1126	3.42
33	A"	1053	1007	2.02
34	A"	815	779	0.66
35	A"	795	760	0.16
36	A"	216	206	1.26
37	A"	134	129	7.49
38	A"	52	49	0.02
39	A"	74i	71i	1.97

Atom	x (Å)	y (Å)	z (Å)
C1	-1.359	-0.264	0.000
Cl2	-2.660	0.969	0.000
C3	0.000	0.403	0.000
C4	3.233	-1.321	0.000
C5	2.290	-0.140	0.000
O6	0.961	-0.624	0.000
H7	4.269	-0.981	0.000
H8	-1.489	-0.877	0.887
H9	-1.489	-0.877	-0.887
H10	0.109	1.039	-0.886
H11	0.109	1.039	0.886
H12	3.069	-1.935	-0.884
H13	3.069	-1.935	0.884
H14	2.451	0.488	0.885
H15	2.451	0.488	-0.885

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7920	1.5139	4.7124	3.6509	2.3476	5.6736	1.0856	1.0856	2.1537	2.1537	4.8152	4.8152	3.9834	3.9834
Cl2	1.7920		2.7195	6.3222	5.0722	3.9554	7.1980	2.3587	2.3587	2.9083	2.9083	6.4837	6.4837	5.2093	5.2093
C3	1.5139	2.7195		3.6639	2.3531	1.4060	4.4876	2.1538	2.1538	1.0963	1.0963	3.9584	3.9584	2.6074	2.6074
C4	4.7124	6.3222	3.6639		1.5115	2.3769	1.0900	4.8248	4.8248	4.0140	4.0140	1.0890	1.0890	2.1603	2.1603
C5	3.6509	5.0722	2.3531	1.5115		1.4143	2.1506	3.9502	3.9502	2.6324	2.6324	2.1478	2.1478	1.0970	1.0970
O6	2.3476	3.9554	1.4060	2.3769	1.4143		3.3275	2.6171	2.6171	2.0676	2.0676	2.6358	2.6358	2.0595	2.0595
H7	5.6736	7.1980	4.4876	1.0900	2.1506	3.3275		5.8263	5.8263	4.7085	4.7085	1.7695	1.7695	2.4992	2.4992
H8	1.0856	2.3587	2.1538	4.8248	3.9502	2.6171	5.8263		1.7735	3.0602	2.4942	5.0030	4.6792	4.1695	4.5303
H9	1.0856	2.3587	2.1538	4.8248	3.9502	2.6171	5.8263	1.7735		2.4942	3.0602	4.6792	5.0030	4.5303	4.1695
H10	2.1537	2.9083	1.0963	4.0140	2.6324	2.0676	4.7085	3.0602	2.4942		1.7726	4.1962	4.5543	2.9875	2.4059
H11	2.1537	2.9083	1.0963	4.0140	2.6324	2.0676	4.7085	2.4942	3.0602	1.7726		4.5543	4.1962	2.4059	2.9875
H12	4.8152	6.4837	3.9584	1.0890	2.1478	2.6358	1.7695	5.0030	4.6792	4.1962	4.5543		1.7679	3.0634	2.5012
H13	4.8152	6.4837	3.9584	1.0890	2.1478	2.6358	1.7695	4.6792	5.0030	4.5543	4.1962	1.7679		2.5012	3.0634
H14	3.9834	5.2093	2.6074	2.1603	1.0970	2.0595	2.4992	4.1695	4.5303	2.9875	2.4059	3.0634	2.5012		1.7694
H15	3.9834	5.2093	2.6074	2.1603	1.0970	2.0595	2.4992	4.5303	4.1695	2.4059	2.9875	2.5012	3.0634	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.972	C1	C3	H10	110.171
C1	C3	H11	110.171	Cl2	C1	C3	110.413
Cl2	C1	H8	107.560	Cl2	C1	H9	107.560
C3	C1	H8	110.827	C3	C1	H9	110.827
C3	O6	C5	113.089	C4	C5	O6	108.615
C4	C5	H14	110.820	C4	C5	H15	110.820
C5	C4	H7	110.473	C5	C4	H12	110.302
C5	C4	H13	110.302	O6	C3	H10	110.829
O6	C3	H11	110.829	O6	C5	H14	109.534
O6	C5	H15	109.534	H7	C4	H12	108.593
H7	C4	H13	108.593	H8	C1	H9	109.544
H10	C3	H11	107.884	H12	C4	H13	108.522
H14	C5	H15	107.503

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.097
2	Cl	-0.170
3	C	0.033
4	C	-0.247
5	C	0.036
6	O	-0.300
7	H	0.081
8	H	0.118
9	H	0.118
10	H	0.068
11	H	0.068
12	H	0.091
13	H	0.091
14	H	0.056
15	H	0.056

	x	y	z	Total
	2.070	-0.293	0.000	2.091
CHELPG
AIM
ESP

	x	y	z
x	12.042	-1.502	0.000
y	-1.502	9.234	0.000
z	0.000	0.000	7.930

<r²>	363.606
(<r²>)^1/2	19.068

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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