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	hartrees
Energy at 0K	-691.101843
Energy at 298.15K	-691.112527
Nuclear repulsion energy	290.864600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	2971	19.25
2	A'	3245	2955	43.70
3	A'	3176	2892	23.29
4	A'	3162	2880	58.06
5	A'	3137	2857	36.42
6	A'	1637	1491	2.98
7	A'	1622	1477	2.66
8	A'	1603	1460	7.58
9	A'	1596	1453	2.75
10	A'	1570	1429	10.22
11	A'	1525	1388	29.25
12	A'	1494	1361	15.83
13	A'	1378	1255	32.16
14	A'	1271	1157	297.61
15	A'	1247	1136	29.97
16	A'	1153	1050	3.69
17	A'	1128	1027	13.78
18	A'	972	885	16.03
19	A'	797	726	71.54
20	A'	511	465	0.57
21	A'	403	367	2.66
22	A'	284	258	3.39
23	A'	133	121	1.48
24	A"	3334	3036	7.81
25	A"	3255	2964	49.29
26	A"	3201	2915	43.99
27	A"	3170	2886	44.39
28	A"	1579	1438	5.30
29	A"	1407	1282	4.01
30	A"	1397	1272	0.21
31	A"	1311	1194	6.20
32	A"	1270	1156	2.75
33	A"	1140	1038	1.48
34	A"	877	799	0.13
35	A"	852	776	0.07
36	A"	275	251	1.14
37	A"	168	153	9.85
38	A"	93	85	1.97
39	A"	66	60	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	-1.352	-0.278	0.000
Cl2	-2.666	0.957	0.000
C3	0.000	0.407	0.000
C4	3.234	-1.317	0.000
C5	2.291	-0.132	0.000
O6	0.967	-0.600	0.000
H7	4.268	-0.969	0.000
H8	-1.488	-0.884	0.888
H9	-1.488	-0.884	-0.888
H10	0.097	1.040	-0.885
H11	0.097	1.040	0.885
H12	3.075	-1.933	-0.884
H13	3.075	-1.933	0.884
H14	2.460	0.492	0.883
H15	2.460	0.492	-0.883

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8032	1.5157	4.7022	3.6458	2.3410	5.6623	1.0834	1.0834	2.1499	2.1499	4.8087	4.8087	3.9883	3.9883
Cl2	1.8032		2.7223	6.3229	5.0749	3.9523	7.1965	2.3594	2.3594	2.9027	2.9027	6.4883	6.4883	5.2225	5.2225
C3	1.5157	2.7223		3.6645	2.3531	1.3958	4.4841	2.1604	2.1604	1.0928	1.0928	3.9642	3.9642	2.6153	2.6153
C4	4.7022	6.3229	3.6645		1.5146	2.3779	1.0908	4.8236	4.8236	4.0223	4.0223	1.0897	1.0897	2.1566	2.1566
C5	3.6458	5.0749	2.3531	1.5146		1.4046	2.1472	3.9533	3.9533	2.6399	2.6399	2.1548	2.1548	1.0946	1.0946
O6	2.3410	3.9523	1.3958	2.3779	1.4046		3.3219	2.6251	2.6251	2.0569	2.0569	2.6468	2.6468	2.0504	2.0504
H7	5.6623	7.1965	4.4841	1.0908	2.1472	3.3219		5.8240	5.8240	4.7135	4.7135	1.7703	1.7703	2.4866	2.4866
H8	1.0834	2.3594	2.1604	4.8236	3.9533	2.6251	5.8240		1.7757	3.0591	2.4930	5.0060	4.6818	4.1806	4.5403
H9	1.0834	2.3594	2.1604	4.8236	3.9533	2.6251	5.8240	1.7757		2.4930	3.0591	4.6818	5.0060	4.5403	4.1806
H10	2.1499	2.9027	1.0928	4.0223	2.6399	2.0569	4.7135	3.0591	2.4930		1.7699	4.2086	4.5654	3.0019	2.4258
H11	2.1499	2.9027	1.0928	4.0223	2.6399	2.0569	4.7135	2.4930	3.0591	1.7699		4.5654	4.2086	2.4258	3.0019
H12	4.8087	6.4883	3.9642	1.0897	2.1548	2.6468	1.7703	5.0060	4.6818	4.2086	4.5654		1.7687	3.0635	2.5020
H13	4.8087	6.4883	3.9642	1.0897	2.1548	2.6468	1.7703	4.6818	5.0060	4.5654	4.2086	1.7687		2.5020	3.0635
H14	3.9883	5.2225	2.6153	2.1566	1.0946	2.0504	2.4866	4.1806	4.5403	3.0019	2.4258	3.0635	2.5020		1.7668
H15	3.9883	5.2225	2.6153	2.1566	1.0946	2.0504	2.4866	4.5403	4.1806	2.4258	3.0019	2.5020	3.0635	1.7668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.964	C1	C3	H10	109.957
C1	C3	H11	109.957	Cl2	C1	C3	109.912
Cl2	C1	H8	106.982	Cl2	C1	H9	106.982
C3	C1	H8	111.356	C3	C1	H9	111.356
C3	O6	C5	114.341	C4	C5	O6	109.033
C4	C5	H14	110.454	C4	C5	H15	110.454
C5	C4	H7	109.937	C5	C4	H12	110.608
C5	C4	H13	110.608	O6	C3	H10	110.907
O6	C3	H11	110.907	O6	C5	H14	109.633
O6	C5	H15	109.633	H7	C4	H12	108.561
H7	C4	H13	108.561	H8	C1	H9	110.065
H10	C3	H11	108.153	H12	C4	H13	108.506
H14	C5	H15	107.617

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

using model chemistry: HF/aug-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
1	C	0.038
2	Cl	-0.124
3	C	0.759
4	C	0.278
5	C	0.596
6	O	-0.886
7	H	-0.048
8	H	-0.010
9	H	-0.010
10	H	-0.103
11	H	-0.103
12	H	-0.048
13	H	-0.048
14	H	-0.146
15	H	-0.146

	x	y	z	Total
	2.329	-0.314	0.000	2.350
CHELPG
AIM
ESP

<r²>	365.408
(<r²>)^1/2	19.116

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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