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	hartrees
Energy at 0K	-691.467420
Energy at 298.15K	-691.477545
HF Energy	-690.947401
Nuclear repulsion energy	281.274176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3025	37.41
2	A'	3126	3018	19.71
3	A'	3033	2928	27.38
4	A'	3018	2913	46.66
5	A'	3002	2898	52.29
6	A'	1557	1503	1.81
7	A'	1548	1495	1.37
8	A'	1541	1488	6.90
9	A'	1525	1472	4.22
10	A'	1462	1412	15.50
11	A'	1448	1398	0.03
12	A'	1402	1354	26.38
13	A'	1316	1271	28.47
14	A'	1154	1114	10.41
15	A'	1094	1056	7.72
16	A'	1075	1038	136.22
17	A'	997	963	28.17
18	A'	849	819	17.85
19	A'	699	675	37.06
20	A'	455	440	1.41
21	A'	355	343	4.73
22	A'	252	243	3.92
23	A'	116	112	1.85
24	A"	3221	3109	14.28
25	A"	3153	3043	39.62
26	A"	3083	2976	40.88
27	A"	3060	2954	56.37
28	A"	1523	1471	7.27
29	A"	1313	1268	0.28
30	A"	1298	1253	0.02
31	A"	1205	1163	8.51
32	A"	1177	1136	2.73
33	A"	1062	1025	1.16
34	A"	853	823	2.52
35	A"	840	811	0.43
36	A"	242	233	1.30
37	A"	143	138	13.96
38	A"	68	66	3.46
39	A"	56	54	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-1.377	-0.249	0.000
Cl2	-2.727	1.092	0.000
C3	0.000	0.435	0.000
C4	3.276	-1.474	0.000
C5	2.389	-0.213	0.000
O6	0.975	-0.682	0.000
H7	4.344	-1.187	0.000
H8	-1.532	-0.847	0.906
H9	-1.532	-0.847	-0.906
H10	0.134	1.062	-0.903
H11	0.134	1.062	0.903
H12	3.072	-2.083	-0.896
H13	3.072	-2.083	0.896
H14	2.564	0.408	0.902
H15	2.564	0.408	-0.902

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.9022	1.5376	4.8122	3.7663	2.3918	5.7973	1.0970	1.0970	2.1950	2.1950	4.8950	4.8950	4.0960	4.0960
Cl2	1.9022		2.8045	6.5284	5.2795	4.1047	7.4284	2.4509	2.4509	2.9999	2.9999	6.6711	6.6711	5.4104	5.4104
C3	1.5376	2.8045		3.7921	2.4755	1.4826	4.6367	2.1938	2.1938	1.1076	1.1076	4.0718	4.0718	2.7182	2.7182
C4	4.8122	6.5284	3.7921		1.5415	2.4339	1.1054	4.9334	4.9334	4.1379	4.1379	1.1024	1.1024	2.2047	2.2047
C5	3.7663	5.2795	2.4755	1.5415		1.4894	2.1836	4.0742	4.0742	2.7437	2.7437	2.1824	2.1824	1.1089	1.1089
O6	2.3918	4.1047	1.4826	2.4339	1.4894		3.4063	2.6713	2.6713	2.1364	2.1364	2.6763	2.6763	2.1271	2.1271
H7	5.7973	7.4284	4.6367	1.1054	2.1836	3.4063		5.9553	5.9553	4.8575	4.8575	1.7954	1.7954	2.5539	2.5539
H8	1.0970	2.4509	2.1938	4.9334	4.0742	2.6713	5.9553		1.8127	3.1138	2.5340	5.0966	4.7672	4.2841	4.6501
H9	1.0970	2.4509	2.1938	4.9334	4.0742	2.6713	5.9553	1.8127		2.5340	3.1138	4.7672	5.0966	4.6501	4.2841
H10	2.1950	2.9999	1.1076	4.1379	2.7437	2.1364	4.8575	3.1138	2.5340		1.8062	4.3037	4.6646	3.0970	2.5167
H11	2.1950	2.9999	1.1076	4.1379	2.7437	2.1364	4.8575	2.5340	3.1138	1.8062		4.6646	4.3037	2.5167	3.0970
H12	4.8950	6.6711	4.0718	1.1024	2.1824	2.6763	1.7954	5.0966	4.7672	4.3037	4.6646		1.7923	3.1132	2.5415
H13	4.8950	6.6711	4.0718	1.1024	2.1824	2.6763	1.7954	4.7672	5.0966	4.6646	4.3037	1.7923		2.5415	3.1132
H14	4.0960	5.4104	2.7182	2.2047	1.1089	2.1271	2.5539	4.2841	4.6501	3.0970	2.5167	3.1132	2.5415		1.8037
H15	4.0960	5.4104	2.7182	2.2047	1.1089	2.1271	2.5539	4.6501	4.2841	2.5167	3.0970	2.5415	3.1132	1.8037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	104.716	C1	C3	H10	111.114
C1	C3	H11	111.114	Cl2	C1	C3	108.774
Cl2	C1	H8	106.500	Cl2	C1	H9	106.500
C3	C1	H8	111.665	C3	C1	H9	111.665
C3	O6	C5	112.804	C4	C5	O6	106.827
C4	C5	H14	111.534	C4	C5	H15	111.534
C5	C4	H7	110.082	C5	C4	H12	110.162
C5	C4	H13	110.162	O6	C3	H10	110.297
O6	C3	H11	110.297	O6	C5	H14	109.022
O6	C5	H15	109.022	H7	C4	H12	108.821
H7	C4	H13	108.821	H8	C1	H9	111.429
H10	C3	H11	109.244	H12	C4	H13	108.756
H14	C5	H15	108.832

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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