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	hartrees
Energy at 0K	-691.084874
Energy at 298.15K	-691.095545
Nuclear repulsion energy	291.217526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	2969	20.15
2	A'	3264	2964	39.28
3	A'	3187	2894	23.24
4	A'	3165	2874	59.17
5	A'	3140	2851	33.52
6	A'	1643	1492	1.36
7	A'	1625	1476	3.92
8	A'	1607	1459	7.96
9	A'	1599	1452	3.92
10	A'	1574	1429	12.06
11	A'	1528	1387	40.47
12	A'	1497	1360	22.14
13	A'	1377	1251	36.58
14	A'	1287	1169	304.37
15	A'	1253	1137	27.78
16	A'	1155	1048	2.44
17	A'	1131	1027	14.85
18	A'	978	888	16.54
19	A'	802	728	74.01
20	A'	511	464	0.79
21	A'	402	365	2.85
22	A'	284	258	3.52
23	A'	131	119	1.49
24	A"	3342	3035	10.38
25	A"	3272	2971	43.60
26	A"	3207	2912	55.15
27	A"	3177	2885	57.16
28	A"	1578	1433	5.09
29	A"	1407	1277	4.62
30	A"	1398	1269	0.01
31	A"	1314	1193	7.96
32	A"	1273	1156	3.65
33	A"	1138	1033	2.48
34	A"	881	800	0.08
35	A"	857	778	0.06
36	A"	278	253	1.58
37	A"	170	154	10.35
38	A"	88	80	1.76
39	A"	65	59	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	-1.338	-0.289	0.000
Cl2	-2.680	0.911	0.000
C3	0.000	0.419	0.000
C4	3.235	-1.284	0.000
C5	2.294	-0.099	0.000
O6	0.976	-0.573	0.000
H7	4.273	-0.945	0.000
H8	-1.456	-0.903	0.887
H9	-1.456	-0.903	-0.887
H10	0.085	1.058	-0.885
H11	0.085	1.058	0.885
H12	3.070	-1.901	-0.884
H13	3.070	-1.901	0.884
H14	2.465	0.528	0.883
H15	2.465	0.528	-0.883

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7996	1.5140	4.6802	3.6372	2.3313	5.6494	1.0855	1.0855	2.1502	2.1502	4.7767	4.7767	3.9891	3.9891
Cl2	1.7996		2.7243	6.3087	5.0752	3.9451	7.1960	2.3613	2.3613	2.9065	2.9065	6.4615	6.4615	5.2341	5.2341
C3	1.5140	2.7243		3.6560	2.3519	1.3919	4.4855	2.1578	2.1578	1.0950	1.0950	3.9489	3.9489	2.6210	2.6210
C4	4.6802	6.3087	3.6560		1.5130	2.3684	1.0920	4.7891	4.7891	4.0240	4.0240	1.0912	1.0912	2.1576	2.1576
C5	3.6372	5.0752	2.3519	1.5130		1.4011	2.1521	3.9365	3.9365	2.6464	2.6464	2.1524	2.1524	1.0967	1.0967
O6	2.3313	3.9451	1.3919	2.3684	1.4011		3.3182	2.6092	2.6092	2.0590	2.0590	2.6330	2.6330	2.0522	2.0522
H7	5.6494	7.1960	4.4855	1.0920	2.1521	3.3182		5.7973	5.7973	4.7261	4.7261	1.7730	1.7730	2.4935	2.4935
H8	1.0855	2.3613	2.1578	4.7891	3.9365	2.6092	5.7973		1.7739	3.0599	2.4945	4.9618	4.6348	4.1741	4.5340
H9	1.0855	2.3613	2.1578	4.7891	3.9365	2.6092	5.7973	1.7739		2.4945	3.0599	4.6348	4.9618	4.5340	4.1741
H10	2.1502	2.9065	1.0950	4.0240	2.6464	2.0590	4.7261	3.0599	2.4945		1.7702	4.2037	4.5610	3.0125	2.4387
H11	2.1502	2.9065	1.0950	4.0240	2.6464	2.0590	4.7261	2.4945	3.0599	1.7702		4.5610	4.2037	2.4387	3.0125
H12	4.7767	6.4615	3.9489	1.0912	2.1524	2.6330	1.7730	4.9618	4.6348	4.2037	4.5610		1.7690	3.0646	2.5032
H13	4.7767	6.4615	3.9489	1.0912	2.1524	2.6330	1.7730	4.6348	4.9618	4.5610	4.2037	1.7690		2.5032	3.0646
H14	3.9891	5.2341	2.6210	2.1576	1.0967	2.0522	2.4935	4.1741	4.5340	3.0125	2.4387	3.0646	2.5032		1.7669
H15	3.9891	5.2341	2.6210	2.1576	1.0967	2.0522	2.4935	4.5340	4.1741	2.4387	3.0125	2.5032	3.0646	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.620	C1	C3	H10	109.969
C1	C3	H11	109.969	Cl2	C1	C3	110.309
Cl2	C1	H8	107.256	Cl2	C1	H9	107.256
C3	C1	H8	111.140	C3	C1	H9	111.140
C3	O6	C5	114.717	C4	C5	O6	108.667
C4	C5	H14	110.521	C4	C5	H15	110.521
C5	C4	H7	110.370	C5	C4	H12	110.438
C5	C4	H13	110.438	O6	C3	H10	111.214
O6	C3	H11	111.214	O6	C5	H14	109.896
O6	C5	H15	109.896	H7	C4	H12	108.612
H7	C4	H13	108.612	H8	C1	H9	109.588
H10	C3	H11	107.866	H12	C4	H13	108.308
H14	C5	H15	107.336

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

using model chemistry: HF/cc-pVDZ

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	CHELPG
1	C	-0.046	-0.104
2	Cl	-0.191	-0.221
3	C	0.239	0.366
4	C	-0.040	-0.206
5	C	0.160	0.417
6	O	-0.494	-0.505
7	H	0.029	0.038
8	H	0.088	0.116
9	H	0.088	0.116
10	H	0.027	-0.021
11	H	0.027	-0.021
12	H	0.041	0.059
13	H	0.041	0.059
14	H	0.015	-0.045
15	H	0.015	-0.045

	x	y	z	Total
	2.314	-0.259	0.000	2.328
CHELPG
AIM
ESP

	x	y	z
x	10.286	-1.402	0.000
y	-1.402	7.884	0.000
z	0.000	0.000	6.769

<r²>	364.097
(<r²>)^1/2	19.081

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

using model chemistry: HF/cc-pVDZ

States and conformations

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