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	hartrees
Energy at 0K	-692.838056
Energy at 298.15K	-692.848200
Nuclear repulsion energy	288.618749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3059	3031	22.96
2	A'	3028	3001	16.17
3	A'	2981	2954	17.27
4	A'	2901	2875	63.90
5	A'	2887	2861	33.51
6	A'	1483	1469	3.02
7	A'	1465	1452	3.06
8	A'	1453	1439	5.26
9	A'	1441	1428	2.28
10	A'	1396	1383	11.41
11	A'	1355	1343	13.93
12	A'	1332	1320	16.13
13	A'	1245	1233	19.74
14	A'	1124	1114	72.73
15	A'	1104	1094	190.18
16	A'	1050	1040	1.34
17	A'	1013	1004	17.71
18	A'	874	866	15.84
19	A'	739	733	45.61
20	A'	464	460	0.46
21	A'	365	361	2.40
22	A'	257	255	3.22
23	A'	118	116	1.42
24	A"	3091	3063	8.13
25	A"	3059	3031	26.09
26	A"	2933	2906	30.46
27	A"	2914	2888	74.93
28	A"	1432	1419	8.03
29	A"	1255	1244	1.87
30	A"	1253	1241	1.75
31	A"	1176	1166	4.01
32	A"	1137	1127	4.28
33	A"	1029	1020	4.05
34	A"	800	793	1.26
35	A"	785	777	0.58
36	A"	243	241	0.80
37	A"	142	141	6.63
38	A"	76	76	2.25
39	A"	53	52	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.360	-0.273	0.000
Cl2	-2.684	0.959	0.000
C3	0.000	0.410	0.000
C4	3.257	-1.310	0.000
C5	2.306	-0.126	0.000
O6	0.968	-0.628	0.000
H7	4.302	-0.964	0.000
H8	-1.488	-0.891	0.896
H9	-1.488	-0.891	-0.896
H10	0.102	1.055	-0.896
H11	0.102	1.055	0.896
H12	3.096	-1.933	-0.892
H13	3.096	-1.933	0.892
H14	2.469	0.511	0.894
H15	2.469	0.511	-0.894

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8088	1.5212	4.7317	3.6684	2.3547	5.7033	1.0967	1.0967	2.1686	2.1686	4.8377	4.8377	4.0092	4.0092
Cl2	1.8088		2.7397	6.3596	5.1066	3.9821	7.2456	2.3787	2.3787	2.9282	2.9282	6.5244	6.5244	5.2495	5.2495
C3	1.5212	2.7397		3.6831	2.3674	1.4192	4.5157	2.1702	2.1702	1.1090	1.1090	3.9836	3.9836	2.6281	2.6281
C4	4.7317	6.3596	3.6831		1.5182	2.3883	1.1004	4.8470	4.8470	4.0435	4.0435	1.0998	1.0998	2.1758	2.1758
C5	3.6684	5.1066	2.3674	1.5182		1.4287	2.1644	3.9726	3.9726	2.6563	2.6563	2.1641	2.1641	1.1099	1.1099
O6	2.3547	3.9821	1.4192	2.3883	1.4287		3.3504	2.6278	2.6278	2.0944	2.0944	2.6506	2.6506	2.0856	2.0856
H7	5.7033	7.2456	4.5157	1.1004	2.1644	3.3504		5.8591	5.8591	4.7452	4.7452	1.7856	1.7856	2.5162	2.5162
H8	1.0967	2.3787	2.1702	4.8470	3.9726	2.6278	5.8591		1.7929	3.0871	2.5135	5.0293	4.7007	4.1983	4.5641
H9	1.0967	2.3787	2.1702	4.8470	3.9726	2.6278	5.8591	1.7929		2.5135	3.0871	4.7007	5.0293	4.5641	4.1983
H10	2.1686	2.9282	1.1090	4.0435	2.6563	2.0944	4.7452	3.0871	2.5135		1.7918	4.2302	4.5923	3.0172	2.4291
H11	2.1686	2.9282	1.1090	4.0435	2.6563	2.0944	4.7452	2.5135	3.0871	1.7918		4.5923	4.2302	2.4291	3.0172
H12	4.8377	6.5244	3.9836	1.0998	2.1641	2.6506	1.7856	5.0293	4.7007	4.2302	4.5923		1.7830	3.0909	2.5231
H13	4.8377	6.5244	3.9836	1.0998	2.1641	2.6506	1.7856	4.7007	5.0293	4.5923	4.2302	1.7830		2.5231	3.0909
H14	4.0092	5.2495	2.6281	2.1758	1.1099	2.0856	2.5162	4.1983	4.5641	3.0172	2.4291	3.0909	2.5231		1.7876
H15	4.0092	5.2495	2.6281	2.1758	1.1099	2.0856	2.5162	4.5641	4.1983	2.4291	3.0172	2.5231	3.0909	1.7876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.359	C1	C3	H10	110.089
C1	C3	H11	110.089	Cl2	C1	C3	110.420
Cl2	C1	H8	107.364	Cl2	C1	H9	107.364
C3	C1	H8	110.955	C3	C1	H9	110.955
C3	O6	C5	112.461	C4	C5	O6	108.243
C4	C5	H14	110.812	C4	C5	H15	110.812
C5	C4	H7	110.480	C5	C4	H12	110.489
C5	C4	H13	110.489	O6	C3	H10	111.278
O6	C3	H11	111.278	O6	C5	H14	109.847
O6	C5	H15	109.847	H7	C4	H12	108.500
H7	C4	H13	108.500	H8	C1	H9	109.653
H10	C3	H11	107.764	H12	C4	H13	108.312
H14	C5	H15	107.282

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	-0.349
2	Cl	-0.100
3	C	-0.025
4	C	-0.350
5	C	-0.063
6	O	-0.333
7	H	0.121
8	H	0.188
9	H	0.188
10	H	0.123
11	H	0.123
12	H	0.131
13	H	0.131
14	H	0.108
15	H	0.108

	x	y	z	Total
	2.162	-0.325	0.000	2.187
CHELPG
AIM
ESP

	x	y	z
x	12.236	-1.725	0.000
y	-1.725	8.964	0.000
z	0.000	0.000	7.503

<r²>	369.582
(<r²>)^1/2	19.225

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)