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	hartrees
Energy at 0K	-692.291111
Energy at 298.15K	-692.301502
HF Energy	-691.170266
Nuclear repulsion energy	291.737649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3027	16.05
2	A'	3139	2986	11.91
3	A'	3090	2940	13.82
4	A'	3036	2889	48.56
5	A'	3027	2880	26.85
6	A'	1543	1469	2.48
7	A'	1527	1453	3.41
8	A'	1515	1442	3.82
9	A'	1505	1432	2.92
10	A'	1454	1383	10.94
11	A'	1413	1345	10.19
12	A'	1388	1321	19.83
13	A'	1287	1225	17.23
14	A'	1178	1120	186.78
15	A'	1160	1103	51.29
16	A'	1100	1046	4.92
17	A'	1064	1012	17.06
18	A'	911	867	13.27
19	A'	801	762	34.95
20	A'	481	457	0.74
21	A'	381	363	2.52
22	A'	268	255	2.61
23	A'	123	117	1.24
24	A"	3209	3054	3.75
25	A"	3188	3033	17.38
26	A"	3084	2935	18.76
27	A"	3070	2921	49.71
28	A"	1499	1426	6.36
29	A"	1312	1248	3.25
30	A"	1308	1245	0.05
31	A"	1228	1168	4.42
32	A"	1187	1130	3.04
33	A"	1073	1021	1.95
34	A"	826	786	0.49
35	A"	805	766	0.14
36	A"	253	240	0.82
37	A"	159	151	7.23
38	A"	89	84	1.92
39	A"	63	60	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.369	-0.246	0.000
Cl2	-2.622	1.019	0.000
C3	0.000	0.394	0.000
C4	3.207	-1.360	0.000
C5	2.272	-0.175	0.000
O6	0.939	-0.660	0.000
H7	4.243	-1.026	0.000
H8	-1.510	-0.854	0.887
H9	-1.510	-0.854	-0.887
H10	0.121	1.025	-0.886
H11	0.121	1.025	0.886
H12	3.038	-1.972	-0.883
H13	3.038	-1.972	0.883
H14	2.432	0.452	0.884
H15	2.432	0.452	-0.884

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7808	1.5106	4.7095	3.6412	2.3443	5.6655	1.0847	1.0847	2.1495	2.1495	4.8146	4.8146	3.9644	3.9644
Cl2	1.7808		2.6958	6.2961	5.0375	3.9371	7.1631	2.3519	2.3519	2.8831	2.8831	6.4627	6.4627	5.1626	5.1626
C3	1.5106	2.6958		3.6552	2.3418	1.4114	4.4739	2.1500	2.1500	1.0947	1.0947	3.9504	3.9504	2.5887	2.5887
C4	4.7095	6.2961	3.6552		1.5100	2.3739	1.0885	4.8264	4.8264	3.9994	3.9994	1.0872	1.0872	2.1598	2.1598
C5	3.6412	5.0375	2.3418	1.5100		1.4189	2.1469	3.9433	3.9433	2.6169	2.6169	2.1440	2.1440	1.0953	1.0953
O6	2.3443	3.9371	1.4114	2.3739	1.4189		3.3243	2.6115	2.6115	2.0721	2.0721	2.6283	2.6283	2.0615	2.0615
H7	5.6655	7.1631	4.4739	1.0885	2.1469	3.3243		5.8234	5.8234	4.6879	4.6879	1.7679	1.7679	2.4984	2.4984
H8	1.0847	2.3519	2.1500	4.8264	3.9433	2.6115	5.8234		1.7743	3.0553	2.4883	5.0071	4.6838	4.1529	4.5148
H9	1.0847	2.3519	2.1500	4.8264	3.9433	2.6115	5.8234	1.7743		2.4883	3.0553	4.6838	5.0071	4.5148	4.1529
H10	2.1495	2.8831	1.0947	3.9994	2.6169	2.0721	4.6879	3.0553	2.4883		1.7715	4.1822	4.5407	2.9666	2.3810
H11	2.1495	2.8831	1.0947	3.9994	2.6169	2.0721	4.6879	2.4883	3.0553	1.7715		4.5407	4.1822	2.3810	2.9666
H12	4.8146	6.4627	3.9504	1.0872	2.1440	2.6283	1.7679	5.0071	4.6838	4.1822	4.5407		1.7657	3.0598	2.4983
H13	4.8146	6.4627	3.9504	1.0872	2.1440	2.6283	1.7679	4.6838	5.0071	4.5407	4.1822	1.7657		2.4983	3.0598
H14	3.9644	5.1626	2.5887	2.1598	1.0953	2.0615	2.4984	4.1529	4.5148	2.9666	2.3810	3.0598	2.4983		1.7678
H15	3.9644	5.1626	2.5887	2.1598	1.0953	2.0615	2.4984	4.5148	4.1529	2.3810	2.9666	2.4983	3.0598	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.650	C1	C3	H10	110.165
C1	C3	H11	110.165	Cl2	C1	C3	109.704
Cl2	C1	H8	107.839	Cl2	C1	H9	107.839
C3	C1	H8	110.806	C3	C1	H9	110.806
C3	O6	C5	111.668	C4	C5	O6	108.253
C4	C5	H14	110.994	C4	C5	H15	110.994
C5	C4	H7	110.377	C5	C4	H12	110.217
C5	C4	H13	110.217	O6	C3	H10	110.924
O6	C3	H11	110.924	O6	C5	H14	109.490
O6	C5	H15	109.490	H7	C4	H12	108.696
H7	C4	H13	108.696	H8	C1	H9	109.752
H10	C3	H11	108.026	H12	C4	H13	108.590
H14	C5	H15	107.605

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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