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	hartrees
Energy at 0K	-693.274707
Energy at 298.15K
HF Energy	-693.274707
Nuclear repulsion energy	290.582978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3007	24.16
2	A'	3134	2993	13.42
3	A'	3070	2932	17.20
4	A'	3005	2870	55.21
5	A'	2991	2857	35.08
6	A'	1533	1464	3.85
7	A'	1515	1447	4.57
8	A'	1500	1433	5.27
9	A'	1495	1428	3.61
10	A'	1462	1396	7.89
11	A'	1418	1355	26.12
12	A'	1395	1332	10.82
13	A'	1298	1240	20.35
14	A'	1191	1138	234.57
15	A'	1165	1113	34.54
16	A'	1090	1041	3.91
17	A'	1063	1015	15.90
18	A'	915	873	13.98
19	A'	778	743	46.03
20	A'	487	465	0.66
21	A'	384	367	2.57
22	A'	269	257	3.24
23	A'	121	116	1.43
24	A"	3202	3057	5.57
25	A"	3156	3014	25.23
26	A"	3044	2907	28.98
27	A"	3025	2889	62.23
28	A"	1487	1420	7.51
29	A"	1314	1255	3.92
30	A"	1306	1247	0.27
31	A"	1224	1169	4.43
32	A"	1182	1129	4.07
33	A"	1061	1013	2.03
34	A"	822	785	0.61
35	A"	804	767	0.07
36	A"	229	219	1.26
37	A"	140	134	8.49
38	A"	55	52	0.01
39	A"	54i	52i	2.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.359	-0.268	0.000
Cl2	-2.670	0.966	0.000
C3	0.000	0.401	0.000
C4	3.244	-1.313	0.000
C5	2.294	-0.136	0.000
O6	0.965	-0.624	0.000
H7	4.279	-0.967	0.000
H8	-1.485	-0.882	0.888
H9	-1.485	-0.882	-0.888
H10	0.107	1.038	-0.888
H11	0.107	1.038	0.888
H12	3.084	-1.929	-0.885
H13	3.084	-1.929	0.885
H14	2.455	0.493	0.886
H15	2.455	0.493	-0.886

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8003	1.5149	4.7200	3.6555	2.3507	5.6814	1.0866	1.0866	2.1549	2.1549	4.8251	4.8251	3.9884	3.9884
Cl2	1.8003		2.7291	6.3378	5.0850	3.9672	7.2132	2.3679	2.3679	2.9169	2.9169	6.5016	6.5016	5.2221	5.2221
C3	1.5149	2.7291		3.6690	2.3562	1.4080	4.4928	2.1540	2.1540	1.0976	1.0976	3.9654	3.9654	2.6112	2.6112
C4	4.7200	6.3378	3.6690		1.5124	2.3811	1.0914	4.8306	4.8306	4.0189	4.0189	1.0903	1.0903	2.1610	2.1610
C5	3.6555	5.0850	2.3562	1.5124		1.4164	2.1521	3.9528	3.9528	2.6358	2.6358	2.1500	2.1500	1.0984	1.0984
O6	2.3507	3.9672	1.4080	2.3811	1.4164		3.3323	2.6180	2.6180	2.0700	2.0700	2.6414	2.6414	2.0624	2.0624
H7	5.6814	7.2132	4.4928	1.0914	2.1521	3.3323		5.8326	5.8326	4.7130	4.7130	1.7713	1.7713	2.4995	2.4995
H8	1.0866	2.3679	2.1540	4.8306	3.9528	2.6180	5.8326		1.7753	3.0615	2.4941	5.0111	4.6871	4.1725	4.5338
H9	1.0866	2.3679	2.1540	4.8306	3.9528	2.6180	5.8326	1.7753		2.4941	3.0615	4.6871	5.0111	4.5338	4.1725
H10	2.1549	2.9169	1.0976	4.0189	2.6358	2.0700	4.7130	3.0615	2.4941		1.7756	4.2026	4.5612	2.9920	2.4095
H11	2.1549	2.9169	1.0976	4.0189	2.6358	2.0700	4.7130	2.4941	3.0615	1.7756		4.5612	4.2026	2.4095	2.9920
H12	4.8251	6.5016	3.9654	1.0903	2.1500	2.6414	1.7713	5.0111	4.6871	4.2026	4.5612		1.7700	3.0660	2.5028
H13	4.8251	6.5016	3.9654	1.0903	2.1500	2.6414	1.7713	4.6871	5.0111	4.5612	4.2026	1.7700		2.5028	3.0660
H14	3.9884	5.2221	2.6112	2.1610	1.0984	2.0624	2.4995	4.1725	4.5338	2.9920	2.4095	3.0660	2.5028		1.7720
H15	3.9884	5.2221	2.6112	2.1610	1.0984	2.0624	2.4995	4.5338	4.1725	2.4095	2.9920	2.5028	3.0660	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.020	C1	C3	H10	110.119
C1	C3	H11	110.119	Cl2	C1	C3	110.520
Cl2	C1	H8	107.633	Cl2	C1	H9	107.633
C3	C1	H8	110.704	C3	C1	H9	110.704
C3	O6	C5	113.078	C4	C5	O6	108.736
C4	C5	H14	110.733	C4	C5	H15	110.733
C5	C4	H7	110.444	C5	C4	H12	110.346
C5	C4	H13	110.346	O6	C3	H10	110.811
O6	C3	H11	110.811	O6	C5	H14	109.544
O6	C5	H15	109.544	H7	C4	H12	108.560
H7	C4	H13	108.560	H8	C1	H9	109.546
H10	C3	H11	107.976	H12	C4	H13	108.527
H14	C5	H15	107.534

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

using model chemistry: wB97X-D/TZVP

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	-0.186
2	Cl	-0.137
3	C	-0.110
4	C	-0.339
5	C	-0.078
6	O	-0.252
7	H	0.114
8	H	0.161
9	H	0.161
10	H	0.110
11	H	0.110
12	H	0.125
13	H	0.125
14	H	0.098
15	H	0.098

	x	y	z	Total
	2.157	-0.220	0.000	2.168
CHELPG
AIM
ESP

	x	y	z
x	11.422	-1.445	0.000
y	-1.445	8.915	0.000
z	0.000	0.000	7.809

<r²>	365.098
(<r²>)^1/2	19.108

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

using model chemistry: wB97X-D/TZVP

States and conformations

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