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	hartrees
Energy at 0K	-688.298795
Energy at 298.15K	-688.309128
HF Energy	-687.681804
Nuclear repulsion energy	286.077597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3023	18.46
2	A'	3166	3012	8.27
3	A'	3102	2951	10.97
4	A'	3056	2908	25.11
5	A'	3043	2895	28.84
6	A'	1635	1555	0.54
7	A'	1621	1542	5.90
8	A'	1605	1527	6.40
9	A'	1584	1506	4.51
10	A'	1493	1420	10.48
11	A'	1486	1414	3.40
12	A'	1424	1355	38.15
13	A'	1338	1273	28.04
14	A'	1175	1118	21.85
15	A'	1105	1051	127.81
16	A'	1064	1012	4.05
17	A'	1002	953	3.88
18	A'	882	839	14.36
19	A'	745	708	46.22
20	A'	467	444	1.53
21	A'	362	344	4.00
22	A'	265	252	4.42
23	A'	119	113	1.61
24	A"	3233	3076	4.27
25	A"	3189	3034	20.27
26	A"	3100	2949	35.47
27	A"	3079	2929	46.90
28	A"	1589	1511	5.26
29	A"	1363	1297	0.00
30	A"	1350	1284	0.00
31	A"	1245	1185	5.11
32	A"	1215	1156	3.25
33	A"	1109	1055	2.03
34	A"	878	835	1.20
35	A"	854	812	0.75
36	A"	255	243	1.38
37	A"	152	145	9.66
38	A"	92	88	3.36
39	A"	58	55	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-0.238	0.000
Cl2	-2.695	0.995	0.000
C3	0.000	0.465	0.000
C4	3.237	-1.412	0.000
C5	2.357	-0.155	0.000
O6	0.964	-0.641	0.000
H7	4.297	-1.140	0.000
H8	-1.468	-0.851	0.893
H9	-1.468	-0.851	-0.893
H10	0.105	1.096	-0.893
H11	0.105	1.096	0.893
H12	3.017	-2.009	-0.888
H13	3.017	-2.009	0.888
H14	2.547	0.461	0.890
H15	2.547	0.461	-0.890

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8164	1.5315	4.7452	3.7181	2.3592	5.7294	1.0886	1.0886	2.1737	2.1737	4.8051	4.8051	4.0684	4.0684
Cl2	1.8164		2.7462	6.4013	5.1805	4.0077	7.3105	2.3894	2.3894	2.9401	2.9401	6.5142	6.5142	5.3436	5.3436
C3	1.5315	2.7462		3.7418	2.4369	1.4674	4.5872	2.1643	2.1643	1.0982	1.0982	4.0015	4.0015	2.6983	2.6983
C4	4.7452	6.4013	3.7418		1.5341	2.4002	1.0946	4.8217	4.8217	4.1106	4.1106	1.0928	1.0928	2.1850	2.1850
C5	3.7181	5.1805	2.4369	1.5341		1.4751	2.1761	3.9885	3.9885	2.7265	2.7265	2.1589	2.1589	1.0994	1.0994
O6	2.3592	4.0077	1.4674	2.4002	1.4751		3.3706	2.5991	2.5991	2.1340	2.1340	2.6220	2.6220	2.1246	2.1246
H7	5.7294	7.3105	4.5872	1.0946	2.1761	3.3706		5.8412	5.8412	4.8346	4.8346	1.7844	1.7844	2.5332	2.5332
H8	1.0886	2.3894	2.1643	4.8217	3.9885	2.5991	5.8412		1.7865	3.0748	2.5031	4.9628	4.6320	4.2238	4.5850
H9	1.0886	2.3894	2.1643	4.8217	3.9885	2.5991	5.8412	1.7865		2.5031	3.0748	4.6320	4.9628	4.5850	4.2238
H10	2.1737	2.9401	1.0982	4.1106	2.7265	2.1340	4.8346	3.0748	2.5031		1.7851	4.2572	4.6146	3.0900	2.5237
H11	2.1737	2.9401	1.0982	4.1106	2.7265	2.1340	4.8346	2.5031	3.0748	1.7851		4.6146	4.2572	2.5237	3.0900
H12	4.8051	6.5142	4.0015	1.0928	2.1589	2.6220	1.7844	4.9628	4.6320	4.2572	4.6146		1.7764	3.0795	2.5139
H13	4.8051	6.5142	4.0015	1.0928	2.1589	2.6220	1.7844	4.6320	4.9628	4.6146	4.2572	1.7764		2.5139	3.0795
H14	4.0684	5.3436	2.6983	2.1850	1.0994	2.1246	2.5332	4.2238	4.5850	3.0900	2.5237	3.0795	2.5139		1.7809
H15	4.0684	5.3436	2.6983	2.1850	1.0994	2.1246	2.5332	4.5850	4.2238	2.5237	3.0900	2.5139	3.0795	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	103.735	C1	C3	H10	110.409
C1	C3	H11	110.409	Cl2	C1	C3	109.930
Cl2	C1	H8	108.046	Cl2	C1	H9	108.046
C3	C1	H8	110.242	C3	C1	H9	110.242
C3	O6	C5	111.825	C4	C5	O6	105.791
C4	C5	H14	111.059	C4	C5	H15	111.059
C5	C4	H7	110.637	C5	C4	H12	109.392
C5	C4	H13	109.392	O6	C3	H10	111.758
O6	C3	H11	111.758	O6	C5	H14	110.379
O6	C5	H15	110.379	H7	C4	H12	109.326
H7	C4	H13	109.326	H8	C1	H9	110.280
H10	C3	H11	108.720	H12	C4	H13	108.739
H14	C5	H15	108.184

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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