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	hartrees
Energy at 0K	-693.138523
Energy at 298.15K	-693.148615
Nuclear repulsion energy	286.938581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3043	3026	24.81
2	A'	3020	3003	14.38
3	A'	2973	2957	17.83
4	A'	2892	2876	56.41
5	A'	2872	2857	34.39
6	A'	1497	1488	1.50
7	A'	1477	1469	4.00
8	A'	1462	1454	3.97
9	A'	1449	1441	0.96
10	A'	1402	1395	10.69
11	A'	1366	1359	2.46
12	A'	1341	1334	34.63
13	A'	1233	1226	28.70
14	A'	1115	1109	37.36
15	A'	1079	1073	217.06
16	A'	1029	1023	1.56
17	A'	992	986	12.42
18	A'	863	858	16.19
19	A'	715	711	44.23
20	A'	461	458	0.28
21	A'	362	360	2.02
22	A'	254	252	2.88
23	A'	117	117	1.19
24	A"	3081	3064	8.51
25	A"	3045	3028	27.36
26	A"	2918	2902	36.59
27	A"	2896	2880	66.22
28	A"	1447	1439	3.79
29	A"	1256	1249	2.14
30	A"	1254	1247	0.12
31	A"	1179	1172	6.03
32	A"	1144	1138	1.89
33	A"	1019	1014	1.65
34	A"	802	798	0.52
35	A"	780	776	0.32
36	A"	236	235	0.65
37	A"	140	139	5.66
38	A"	82	82	2.12
39	A"	53	53	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-1.364	-0.284	0.000
Cl2	-2.707	0.956	0.000
C3	0.000	0.413	0.000
C4	3.281	-1.311	0.000
C5	2.322	-0.119	0.000
O6	0.980	-0.622	0.000
H7	4.324	-0.960	0.000
H8	-1.497	-0.901	0.896
H9	-1.497	-0.901	-0.896
H10	0.097	1.062	-0.894
H11	0.097	1.062	0.894
H12	3.122	-1.936	-0.892
H13	3.122	-1.936	0.892
H14	2.489	0.520	0.893
H15	2.489	0.520	-0.893

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8274	1.5318	4.7574	3.6901	2.3681	5.7286	1.0967	1.0967	2.1781	2.1781	4.8636	4.8636	4.0361	4.0361
Cl2	1.8274		2.7609	6.4028	5.1430	4.0101	7.2877	2.3911	2.3911	2.9449	2.9449	6.5680	6.5680	5.2903	5.2903
C3	1.5318	2.7609		3.7064	2.3826	1.4250	4.5370	2.1846	2.1846	1.1091	1.1091	4.0077	4.0077	2.6465	2.6465
C4	4.7574	6.4028	3.7064		1.5294	2.4023	1.1009	4.8785	4.8785	4.0705	4.0705	1.1004	1.1004	2.1853	2.1853
C5	3.6901	5.1430	2.3826	1.5294		1.4335	2.1713	4.0002	4.0002	2.6736	2.6736	2.1759	2.1759	1.1105	1.1105
O6	2.3681	4.0101	1.4250	2.4023	1.4335		3.3617	2.6486	2.6486	2.1008	2.1008	2.6671	2.6671	2.0924	2.0924
H7	5.7286	7.2877	4.5370	1.1009	2.1713	3.3617		5.8901	5.8901	4.7706	4.7706	1.7867	1.7867	2.5207	2.5207
H8	1.0967	2.3911	2.1846	4.8785	4.0002	2.6486	5.8901		1.7927	3.0985	2.5286	5.0602	4.7337	4.2318	4.5945
H9	1.0967	2.3911	2.1846	4.8785	4.0002	2.6486	5.8901	1.7927		2.5286	3.0985	4.7337	5.0602	4.5945	4.2318
H10	2.1781	2.9449	1.1091	4.0705	2.6736	2.1008	4.7706	3.0985	2.5286		1.7889	4.2589	4.6184	3.0350	2.4530
H11	2.1781	2.9449	1.1091	4.0705	2.6736	2.1008	4.7706	2.5286	3.0985	1.7889		4.6184	4.2589	2.4530	3.0350
H12	4.8636	6.5680	4.0077	1.1004	2.1759	2.6671	1.7867	5.0602	4.7337	4.2589	4.6184		1.7840	3.1008	2.5357
H13	4.8636	6.5680	4.0077	1.1004	2.1759	2.6671	1.7867	4.7337	5.0602	4.6184	4.2589	1.7840		2.5357	3.1008
H14	4.0361	5.2903	2.6465	2.1853	1.1105	2.0924	2.5207	4.2318	4.5945	3.0350	2.4530	3.1008	2.5357		1.7854
H15	4.0361	5.2903	2.6465	2.1853	1.1105	2.0924	2.5207	4.5945	4.2318	2.4530	3.0350	2.5357	3.1008	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.378	C1	C3	H10	110.101
C1	C3	H11	110.101	Cl2	C1	C3	110.240
Cl2	C1	H8	107.046	Cl2	C1	H9	107.046
C3	C1	H8	111.349	C3	C1	H9	111.349
C3	O6	C5	112.919	C4	C5	O6	108.303
C4	C5	H14	110.747	C4	C5	H15	110.747
C5	C4	H7	110.212	C5	C4	H12	110.604
C5	C4	H13	110.604	O6	C3	H10	111.389
O6	C3	H11	111.389	O6	C5	H14	110.022
O6	C5	H15	110.022	H7	C4	H12	108.520
H7	C4	H13	108.520	H8	C1	H9	109.627
H10	C3	H11	107.506	H12	C4	H13	108.312
H14	C5	H15	107.005

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.156
2	Cl	-0.188
3	C	-0.033
4	C	-0.345
5	C	-0.024
6	O	-0.196
7	H	0.103
8	H	0.140
9	H	0.140
10	H	0.090
11	H	0.090
12	H	0.114
13	H	0.114
14	H	0.076
15	H	0.076

	x	y	z	Total
	2.077	-0.434	0.000	2.122
CHELPG
AIM
ESP

	x	y	z
x	12.142	-1.585	0.000
y	-1.585	8.705	0.000
z	0.000	0.000	7.622

<r²>	373.562
(<r²>)^1/2	19.328

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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