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	hartrees
Energy at 0K	-693.279867
Energy at 298.15K	-693.290153
Nuclear repulsion energy	288.665732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3121	3009	27.01
2	A'	3110	2998	14.03
3	A'	3048	2939	20.39
4	A'	2994	2887	59.85
5	A'	2976	2869	39.15
6	A'	1535	1480	1.95
7	A'	1519	1464	4.18
8	A'	1505	1451	5.48
9	A'	1498	1445	2.93
10	A'	1449	1397	10.97
11	A'	1413	1362	11.29
12	A'	1388	1338	21.88
13	A'	1291	1244	26.78
14	A'	1158	1117	128.84
15	A'	1141	1100	143.83
16	A'	1072	1033	1.66
17	A'	1036	999	16.90
18	A'	898	866	16.52
19	A'	746	720	50.37
20	A'	477	460	0.36
21	A'	375	362	2.47
22	A'	264	255	3.36
23	A'	123	119	1.41
24	A"	3176	3062	5.62
25	A"	3128	3016	28.38
26	A"	3030	2922	34.28
27	A"	3008	2900	60.80
28	A"	1488	1435	7.43
29	A"	1302	1255	3.27
30	A"	1297	1250	0.56
31	A"	1217	1173	5.28
32	A"	1177	1135	3.82
33	A"	1065	1027	2.34
34	A"	825	795	0.56
35	A"	804	776	0.24
36	A"	248	239	0.85
37	A"	149	143	8.64
38	A"	86	82	2.58
39	A"	59	56	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-1.363	-0.267	0.000
Cl2	-2.681	0.979	0.000
C3	0.000	0.410	0.000
C4	3.251	-1.337	0.000
C5	2.310	-0.145	0.000
O6	0.968	-0.625	0.000
H7	4.292	-0.997	0.000
H8	-1.497	-0.880	0.891
H9	-1.497	-0.880	-0.891
H10	0.106	1.048	-0.891
H11	0.106	1.048	0.891
H12	3.089	-1.957	-0.887
H13	3.089	-1.957	0.887
H14	2.478	0.484	0.889
H15	2.478	0.484	-0.889

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8138	1.5214	4.7364	3.6752	2.3579	5.7017	1.0903	1.0903	2.1634	2.1634	4.8436	4.8436	4.0132	4.0132
Cl2	1.8138		2.7409	6.3685	5.1165	3.9858	7.2477	2.3776	2.3776	2.9272	2.9272	6.5344	6.5344	5.2585	5.2585
C3	1.5214	2.7409		3.6908	2.3761	1.4165	4.5166	2.1680	2.1680	1.1009	1.1009	3.9911	3.9911	2.6337	2.6337
C4	4.7364	6.3685	3.6908		1.5189	2.3919	1.0951	4.8528	4.8528	4.0463	4.0463	1.0942	1.0942	2.1696	2.1696
C5	3.6752	5.1165	2.3761	1.5189		1.4257	2.1570	3.9792	3.9792	2.6597	2.6597	2.1624	2.1624	1.1021	1.1021
O6	2.3579	3.9858	1.4165	2.3919	1.4257		3.3449	2.6337	2.6337	2.0816	2.0816	2.6572	2.6572	2.0738	2.0738
H7	5.7017	7.2477	4.5166	1.0951	2.1570	3.3449		5.8586	5.8586	4.7429	4.7429	1.7765	1.7765	2.5051	2.5051
H8	1.0903	2.3776	2.1680	4.8528	3.9792	2.6337	5.8586		1.7822	3.0765	2.5081	5.0353	4.7108	4.2030	4.5644
H9	1.0903	2.3776	2.1680	4.8528	3.9792	2.6337	5.8586	1.7822		2.5081	3.0765	4.7108	5.0353	4.5644	4.2030
H10	2.1634	2.9272	1.1009	4.0463	2.6597	2.0816	4.7429	3.0765	2.5081		1.7812	4.2337	4.5919	3.0182	2.4376
H11	2.1634	2.9272	1.1009	4.0463	2.6597	2.0816	4.7429	2.5081	3.0765	1.7812		4.5919	4.2337	2.4376	3.0182
H12	4.8436	6.5344	3.9911	1.0942	2.1624	2.6572	1.7765	5.0353	4.7108	4.2337	4.5919		1.7747	3.0803	2.5164
H13	4.8436	6.5344	3.9911	1.0942	2.1624	2.6572	1.7765	4.7108	5.0353	4.5919	4.2337	1.7747		2.5164	3.0803
H14	4.0132	5.2585	2.6337	2.1696	1.1021	2.0738	2.5051	4.2030	4.5644	3.0182	2.4376	3.0803	2.5164		1.7781
H15	4.0132	5.2585	2.6337	2.1696	1.1021	2.0738	2.5051	4.5644	4.2030	2.4376	3.0182	2.5164	3.0803	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.696	C1	C3	H10	110.143
C1	C3	H11	110.143	Cl2	C1	C3	110.224
Cl2	C1	H8	107.269	Cl2	C1	H9	107.269
C3	C1	H8	111.149	C3	C1	H9	111.149
C3	O6	C5	113.435	C4	C5	O6	108.604
C4	C5	H14	110.745	C4	C5	H15	110.745
C5	C4	H7	110.156	C5	C4	H12	110.644
C5	C4	H13	110.644	O6	C3	H10	110.938
O6	C3	H11	110.938	O6	C5	H14	109.589
O6	C5	H15	109.589	H7	C4	H12	108.473
H7	C4	H13	108.473	H8	C1	H9	109.631
H10	C3	H11	107.997	H12	C4	H13	108.381
H14	C5	H15	107.555

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

using model chemistry: B3LYP/6-31+G**

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	ESP
1	C	-0.391	-0.166
2	Cl	-0.054	-0.194
3	C	-0.144	0.229
4	C	-0.594	-0.249
5	C	0.137	0.368
6	O	-0.346	-0.473
7	H	0.146	0.054
8	H	0.201	0.143
9	H	0.201	0.143
10	H	0.138	0.024
11	H	0.138	0.024
12	H	0.162	0.076
13	H	0.162	0.076
14	H	0.121	-0.027
15	H	0.121	-0.027

	x	y	z	Total
	2.231	-0.221	0.000	2.241
CHELPG
AIM
ESP	2.264	-0.266	0.000	2.280

	x	y	z
x	11.994	-1.476	0.000
y	-1.476	9.305	0.000
z	0.000	0.000	7.999

<r²>	370.403
(<r²>)^1/2	19.246

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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