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	hartrees
Energy at 0K	-692.144575
Energy at 298.15K	-692.155057
HF Energy	-691.118640
Nuclear repulsion energy	291.365078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3017	21.06
2	A'	3147	2981	15.89
3	A'	3093	2930	15.41
4	A'	3043	2882	52.44
5	A'	3032	2871	28.68
6	A'	1576	1492	3.51
7	A'	1559	1476	3.95
8	A'	1541	1460	5.09
9	A'	1527	1446	4.02
10	A'	1485	1406	11.16
11	A'	1446	1369	23.70
12	A'	1423	1347	14.60
13	A'	1337	1266	23.98
14	A'	1196	1132	157.43
15	A'	1179	1117	73.36
16	A'	1115	1056	3.54
17	A'	1077	1020	17.62
18	A'	928	879	14.88
19	A'	813	770	38.25
20	A'	492	466	0.99
21	A'	389	368	2.99
22	A'	274	260	2.72
23	A'	126	120	1.48
24	A"	3221	3050	6.92
25	A"	3194	3025	22.68
26	A"	3093	2929	28.09
27	A"	3077	2914	61.80
28	A"	1523	1443	8.82
29	A"	1339	1268	3.45
30	A"	1330	1260	0.66
31	A"	1255	1189	3.68
32	A"	1212	1148	5.18
33	A"	1109	1050	4.83
34	A"	843	799	0.61
35	A"	826	782	0.15
36	A"	266	252	1.11
37	A"	167	158	8.50
38	A"	82	78	1.70
39	A"	65	61	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-0.260	0.000
Cl2	-2.640	0.981	0.000
C3	0.000	0.400	0.000
C4	3.220	-1.324	0.000
C5	2.275	-0.143	0.000
O6	0.948	-0.643	0.000
H7	4.258	-0.985	0.000
H8	-1.485	-0.875	0.890
H9	-1.485	-0.875	-0.890
H10	0.111	1.035	-0.889
H11	0.111	1.035	0.889
H12	3.053	-1.940	-0.885
H13	3.053	-1.940	0.885
H14	2.435	0.486	0.888
H15	2.435	0.486	-0.888

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7824	1.5129	4.7027	3.6384	2.3412	5.6656	1.0886	1.0886	2.1538	2.1538	4.8052	4.8052	3.9696	3.9696
Cl2	1.7824		2.7031	6.2967	5.0420	3.9388	7.1725	2.3602	2.3602	2.8919	2.8919	6.4595	6.4595	5.1757	5.1757
C3	1.5129	2.7031		3.6521	2.3391	1.4096	4.4774	2.1501	2.1501	1.0989	1.0989	3.9470	3.9470	2.5933	2.5933
C4	4.7027	6.2967	3.6521		1.5124	2.3711	1.0923	4.8094	4.8094	4.0025	4.0025	1.0909	1.0909	2.1635	2.1635
C5	3.6384	5.0420	2.3391	1.5124		1.4178	2.1540	3.9332	3.9332	2.6195	2.6195	2.1488	2.1488	1.0996	1.0996
O6	2.3412	3.9388	1.4096	2.3711	1.4178		3.3270	2.6018	2.6018	2.0757	2.0757	2.6258	2.6258	2.0670	2.0670
H7	5.6656	7.1725	4.4774	1.0923	2.1540	3.3270		5.8128	5.8128	4.6974	4.6974	1.7739	1.7739	2.5049	2.5049
H8	1.0886	2.3602	2.1501	4.8094	3.9332	2.6018	5.8128		1.7800	3.0603	2.4897	4.9883	4.6617	4.1500	4.5147
H9	1.0886	2.3602	2.1501	4.8094	3.9332	2.6018	5.8128	1.7800		2.4897	3.0603	4.6617	4.9883	4.5147	4.1500
H10	2.1538	2.8919	1.0989	4.0025	2.6195	2.0757	4.6974	3.0603	2.4897		1.7790	4.1839	4.5447	2.9765	2.3877
H11	2.1538	2.8919	1.0989	4.0025	2.6195	2.0757	4.6974	2.4897	3.0603	1.7790		4.5447	4.1839	2.3877	2.9765
H12	4.8052	6.4595	3.9470	1.0909	2.1488	2.6258	1.7739	4.9883	4.6617	4.1839	4.5447		1.7705	3.0675	2.5033
H13	4.8052	6.4595	3.9470	1.0909	2.1488	2.6258	1.7739	4.6617	4.9883	4.5447	4.1839	1.7705		2.5033	3.0675
H14	3.9696	5.1757	2.5933	2.1635	1.0996	2.0670	2.5049	4.1500	4.5147	2.9765	2.3877	3.0675	2.5033		1.7752
H15	3.9696	5.1757	2.5933	2.1635	1.0996	2.0670	2.5049	4.5147	4.1500	2.3877	2.9765	2.5033	3.0675	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.420	C1	C3	H10	110.100
C1	C3	H11	110.100	Cl2	C1	C3	109.961
Cl2	C1	H8	108.149	Cl2	C1	H9	108.149
C3	C1	H8	110.420	C3	C1	H9	110.420
C3	O6	C5	111.645	C4	C5	O6	107.987
C4	C5	H14	110.859	C4	C5	H15	110.859
C5	C4	H7	110.539	C5	C4	H12	110.205
C5	C4	H13	110.205	O6	C3	H10	111.075
O6	C3	H11	111.075	O6	C5	H14	109.743
O6	C5	H15	109.743	H7	C4	H12	108.680
H7	C4	H13	108.680	H8	C1	H9	109.683
H10	C3	H11	108.080	H12	C4	H13	108.479
H14	C5	H15	107.649

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

using model chemistry: MP2=FULL/6-311G*

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

using model chemistry: MP2=FULL/6-311G*

States and conformations

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