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	hartrees
Energy at 0K	-689.640779
Energy at 298.15K	-689.650749
Nuclear repulsion energy	281.760518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3072	3055	7.66
2	A'	3055	3038	23.08
3	A'	2991	2975	14.19
4	A'	2930	2913	38.06
5	A'	2906	2890	34.92
6	A'	1557	1548	1.34
7	A'	1543	1534	2.81
8	A'	1532	1524	10.85
9	A'	1501	1493	3.15
10	A'	1421	1413	7.24
11	A'	1410	1402	7.25
12	A'	1338	1331	39.44
13	A'	1232	1225	29.12
14	A'	1118	1112	22.61
15	A'	1033	1027	69.09
16	A'	1006	1001	100.78
17	A'	953	948	8.13
18	A'	831	826	15.83
19	A'	650	646	57.58
20	A'	442	440	0.77
21	A'	343	341	3.84
22	A'	242	241	4.62
23	A'	112	111	2.17
24	A"	3146	3129	5.96
25	A"	3063	3046	27.23
26	A"	2961	2944	45.34
27	A"	2932	2916	56.76
28	A"	1516	1508	6.41
29	A"	1288	1281	0.08
30	A"	1280	1273	0.01
31	A"	1168	1162	4.94
32	A"	1136	1130	1.66
33	A"	1003	997	1.03
34	A"	843	838	1.77
35	A"	809	805	1.65
36	A"	232	231	0.82
37	A"	132	131	6.98
38	A"	73	73	5.59
39	A"	51	51	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-1.345	-0.301	0.000
Cl2	-2.752	1.016	0.000
C3	0.000	0.435	0.000
C4	3.295	-1.378	0.000
C5	2.382	-0.138	0.000
O6	0.992	-0.657	0.000
H7	4.355	-1.075	0.000
H8	-1.490	-0.896	0.906
H9	-1.490	-0.896	-0.906
H10	0.086	1.074	-0.899
H11	0.086	1.074	0.899
H12	3.092	-1.987	-0.894
H13	3.092	-1.987	0.894
H14	2.564	0.487	0.897
H15	2.564	0.487	-0.897

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.9277	1.5328	4.7630	3.7300	2.3640	5.7515	1.0939	1.0939	2.1785	2.1785	4.8297	4.8297	4.0874	4.0874
Cl2	1.9277		2.8131	6.5040	5.2622	4.1014	7.4081	2.4635	2.4635	2.9776	2.9776	6.6313	6.6313	5.4179	5.4179
C3	1.5328	2.8131		3.7606	2.4496	1.4751	4.6088	2.1939	2.1939	1.1067	1.1067	4.0279	4.0279	2.7174	2.7174
C4	4.7630	6.5040	3.7606		1.5400	2.4129	1.1020	4.8944	4.8944	4.1377	4.1377	1.1007	1.1007	2.1945	2.1945
C5	3.7300	5.2622	2.4496	1.5400		1.4831	2.1841	4.0485	4.0485	2.7476	2.7476	2.1732	2.1732	1.1086	1.1086
O6	2.3640	4.1014	1.4751	2.4129	1.4831		3.3880	2.6540	2.6540	2.1510	2.1510	2.6414	2.6414	2.1411	2.1411
H7	5.7515	7.4081	4.6088	1.1020	2.1841	3.3880		5.9176	5.9176	4.8632	4.8632	1.7958	1.7958	2.5395	2.5395
H8	1.0939	2.4635	2.1939	4.8944	4.0485	2.6540	5.9176		1.8129	3.1025	2.5230	5.0430	4.7107	4.2841	4.6484
H9	1.0939	2.4635	2.1939	4.8944	4.0485	2.6540	5.9176	1.8129		2.5230	3.1025	4.7107	5.0430	4.6484	4.2841
H10	2.1785	2.9776	1.1067	4.1377	2.7476	2.1510	4.8632	3.1025	2.5230		1.7981	4.2905	4.6502	3.1172	2.5474
H11	2.1785	2.9776	1.1067	4.1377	2.7476	2.1510	4.8632	2.5230	3.1025	1.7981		4.6502	4.2905	2.5474	3.1172
H12	4.8297	6.6313	4.0279	1.1007	2.1732	2.6414	1.7958	5.0430	4.7107	4.2905	4.6502		1.7883	3.0995	2.5292
H13	4.8297	6.6313	4.0279	1.1007	2.1732	2.6414	1.7958	4.7107	5.0430	4.6502	4.2905	1.7883		2.5292	3.0995
H14	4.0874	5.4179	2.7174	2.1945	1.1086	2.1411	2.5395	4.2841	4.6484	3.1172	2.5474	3.0995	2.5292		1.7949
H15	4.0874	5.4179	2.7174	2.1945	1.1086	2.1411	2.5395	4.6484	4.2841	2.5474	3.1172	2.5292	3.0995	1.7949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	103.596	C1	C3	H10	110.200
C1	C3	H11	110.200	Cl2	C1	C3	108.223
Cl2	C1	H8	105.912	Cl2	C1	H9	105.912
C3	C1	H8	112.203	C3	C1	H9	112.203
C3	O6	C5	111.799	C4	C5	O6	105.892
C4	C5	H14	110.850	C4	C5	H15	110.850
C5	C4	H7	110.421	C5	C4	H12	109.642
C5	C4	H13	109.642	O6	C3	H10	112.057
O6	C3	H11	112.057	O6	C5	H14	110.580
O6	C5	H15	110.580	H7	C4	H12	109.227
H7	C4	H13	109.227	H8	C1	H9	111.912
H10	C3	H11	108.663	H12	C4	H13	108.653
H14	C5	H15	108.107

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

using model chemistry: BLYP/3-21G

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	-0.492
2	Cl	-0.077
3	C	-0.106
4	C	-0.536
5	C	-0.126
6	O	-0.436
7	H	0.178
8	H	0.248
9	H	0.248
10	H	0.186
11	H	0.186
12	H	0.194
13	H	0.194
14	H	0.169
15	H	0.169

	x	y	z	Total
	2.649	-0.511	0.000	2.698
CHELPG
AIM
ESP

<r²>	385.289
(<r²>)^1/2	19.629

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

using model chemistry: BLYP/3-21G

States and conformations

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