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	hartrees
Energy at 0K	-692.091051
Energy at 298.15K	-692.101473
HF Energy	-691.150792
Nuclear repulsion energy	290.945787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3021	20.73
2	A'	3156	2992	14.12
3	A'	3096	2935	15.58
4	A'	3047	2888	50.60
5	A'	3034	2876	31.83
6	A'	1562	1481	1.58
7	A'	1541	1461	4.01
8	A'	1527	1448	3.92
9	A'	1520	1441	3.44
10	A'	1478	1401	8.78
11	A'	1439	1364	23.39
12	A'	1418	1344	12.28
13	A'	1326	1257	30.35
14	A'	1185	1123	103.04
15	A'	1169	1108	124.66
16	A'	1108	1050	3.81
17	A'	1067	1011	17.56
18	A'	922	874	16.40
19	A'	799	758	36.70
20	A'	488	463	0.80
21	A'	386	366	2.68
22	A'	272	258	2.70
23	A'	126	119	1.45
24	A"	3231	3063	5.81
25	A"	3197	3030	21.73
26	A"	3097	2936	26.08
27	A"	3080	2919	53.66
28	A"	1502	1424	5.81
29	A"	1321	1252	3.49
30	A"	1315	1246	0.54
31	A"	1241	1176	5.30
32	A"	1201	1138	2.54
33	A"	1093	1036	2.19
34	A"	843	799	0.11
35	A"	829	786	0.00
36	A"	257	243	0.86
37	A"	157	149	8.40
38	A"	74	70	1.32
39	A"	58	55	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.388	-0.218	0.000
Cl2	-2.615	1.068	0.000
C3	0.000	0.390	0.000
C4	3.205	-1.417	0.000
C5	2.280	-0.215	0.000
O6	0.932	-0.680	0.000
H7	4.242	-1.083	0.000
H8	-1.526	-0.833	0.885
H9	-1.526	-0.833	-0.885
H10	0.125	1.018	-0.889
H11	0.125	1.018	0.889
H12	3.033	-2.024	-0.887
H13	3.033	-2.024	0.887
H14	2.457	0.399	0.890
H15	2.457	0.399	-0.890

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7782	1.5152	4.7465	3.6674	2.3651	5.6957	1.0867	1.0867	2.1465	2.1465	4.8567	4.8567	3.9941	3.9941
Cl2	1.7782		2.7015	6.3285	5.0602	3.9544	7.1866	2.3633	2.3633	2.8811	2.8811	6.4998	6.4998	5.1926	5.1926
C3	1.5152	2.7015		3.6795	2.3586	1.4191	4.4905	2.1467	2.1467	1.0956	1.0956	3.9766	3.9766	2.6130	2.6130
C4	4.7465	6.3285	3.6795		1.5174	2.3896	1.0898	4.8483	4.8483	4.0259	4.0259	1.0882	1.0882	2.1567	2.1567
C5	3.6674	5.0602	2.3586	1.5174		1.4260	2.1457	3.9559	3.9559	2.6369	2.6369	2.1511	2.1511	1.0955	1.0955
O6	2.3651	3.9544	1.4191	2.3896	1.4260		3.3346	2.6169	2.6169	2.0798	2.0798	2.6471	2.6471	2.0693	2.0693
H7	5.6957	7.1866	4.4905	1.0898	2.1457	3.3346		5.8408	5.8408	4.7069	4.7069	1.7705	1.7705	2.4850	2.4850
H8	1.0867	2.3633	2.1467	4.8483	3.9559	2.6169	5.8408		1.7710	3.0497	2.4803	5.0341	4.7118	4.1689	4.5312
H9	1.0867	2.3633	2.1467	4.8483	3.9559	2.6169	5.8408	1.7710		2.4803	3.0497	4.7118	5.0341	4.5312	4.1689
H10	2.1465	2.8811	1.0956	4.0259	2.6369	2.0798	4.7069	3.0497	2.4803		1.7782	4.2083	4.5678	2.9976	2.4126
H11	2.1465	2.8811	1.0956	4.0259	2.6369	2.0798	4.7069	2.4803	3.0497	1.7782		4.5678	4.2083	2.4126	2.9976
H12	4.8567	6.4998	3.9766	1.0882	2.1511	2.6471	1.7705	5.0341	4.7118	4.2083	4.5678		1.7740	3.0595	2.4906
H13	4.8567	6.4998	3.9766	1.0882	2.1511	2.6471	1.7705	4.7118	5.0341	4.5678	4.2083	1.7740		2.4906	3.0595
H14	3.9941	5.1926	2.6130	2.1567	1.0955	2.0693	2.4850	4.1689	4.5312	2.9976	2.4126	3.0595	2.4906		1.7800
H15	3.9941	5.1926	2.6130	2.1567	1.0955	2.0693	2.4850	4.5312	4.1689	2.4126	2.9976	2.4906	3.0595	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.368	C1	C3	H10	109.550
C1	C3	H11	109.550	Cl2	C1	C3	109.970
Cl2	C1	H8	108.750	Cl2	C1	H9	108.750
C3	C1	H8	110.096	C3	C1	H9	110.096
C3	O6	C5	111.999	C4	C5	O6	108.519
C4	C5	H14	110.218	C4	C5	H15	110.218
C5	C4	H7	109.685	C5	C4	H12	110.206
C5	C4	H13	110.206	O6	C3	H10	110.937
O6	C3	H11	110.937	O6	C5	H14	109.608
O6	C5	H15	109.608	H7	C4	H12	108.759
H7	C4	H13	108.759	H8	C1	H9	109.146
H10	C3	H11	108.483	H12	C4	H13	109.191
H14	C5	H15	108.660

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

using model chemistry: MP2/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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All results from a given calculation for C4H9ClO (1-Chloro-2-ethoxyethane)

using model chemistry: MP2/TZVP

States and conformations

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