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	hartrees
Energy at 0K	-246.694567
Energy at 298.15K	-246.704697
HF Energy	-246.193641
Nuclear repulsion energy	220.085090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3020	38.15
2	A'	3129	3014	20.83
3	A'	3034	2922	27.40
4	A'	3020	2908	48.12
5	A'	3003	2892	52.81
6	A'	1557	1500	1.71
7	A'	1549	1492	1.48
8	A'	1541	1484	6.97
9	A'	1528	1472	4.19
10	A'	1463	1409	15.34
11	A'	1449	1396	0.07
12	A'	1404	1352	25.88
13	A'	1322	1273	27.66
14	A'	1154	1112	10.12
15	A'	1094	1054	7.62
16	A'	1076	1036	135.80
17	A'	998	961	27.06
18	A'	850	818	18.14
19	A'	706	680	37.65
20	A'	456	439	1.47
21	A'	355	342	4.82
22	A'	253	243	4.27
23	A'	116	112	1.92
24	A"	3223	3104	15.23
25	A"	3154	3038	40.42
26	A"	3085	2971	42.41
27	A"	3062	2949	57.29
28	A"	1523	1467	7.25
29	A"	1314	1266	0.29
30	A"	1299	1251	0.03
31	A"	1206	1162	8.85
32	A"	1178	1134	2.70
33	A"	1069	1030	0.89
34	A"	853	822	2.48
35	A"	841	810	0.33
36	A"	241	232	1.31
37	A"	143	137	14.47
38	A"	68	66	3.40
39	A"	56	54	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	1.455	-1.290	0.000
Cl2	1.568	-3.178	0.000
C3	-0.026	-0.876	0.000
C4	-1.173	2.740	0.000
C5	-1.362	1.209	0.000
O6	0.000	0.606	0.000
H7	-2.156	3.244	0.000
H8	1.970	-0.946	0.906
H9	1.970	-0.946	-0.906
H10	-0.546	-1.251	-0.903
H11	-0.546	-1.251	0.903
H12	-0.612	3.053	-0.896
H13	-0.612	3.053	0.896
H14	-1.909	0.867	0.902
H15	-1.909	0.867	-0.902

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8917	1.5381	4.8105	3.7658	2.3902	5.7962	1.0968	1.0968	2.1959	2.1959	4.8928	4.8928	4.0965	4.0965
Cl2	1.8917		2.8001	6.5214	5.2756	4.0963	7.4235	2.4417	2.4417	2.9992	2.9992	6.6623	6.6623	5.4095	5.4095
C3	1.5381	2.8001		3.7929	2.4764	1.4825	4.6378	2.1932	2.1932	1.1076	1.1076	4.0726	4.0726	2.7195	2.7195
C4	4.8105	6.5214	3.7929		1.5419	2.4342	1.1054	4.9279	4.9279	4.1397	4.1397	1.1025	1.1025	2.2050	2.2050
C5	3.7658	5.2756	2.4764	1.5419		1.4892	2.1840	4.0706	4.0706	2.7453	2.7453	2.1829	2.1829	1.1089	1.1089
O6	2.3902	4.0963	1.4825	2.4342	1.4892		3.4066	2.6671	2.6671	2.1366	2.1366	2.6769	2.6769	2.1270	2.1270
H7	5.7962	7.4235	4.6378	1.1054	2.1840	3.4066		5.9503	5.9503	4.8595	4.8595	1.7955	1.7955	2.5540	2.5540
H8	1.0968	2.4417	2.1932	4.9279	4.0706	2.6671	5.9503		1.8111	3.1137	2.5346	5.0905	4.7610	4.2820	4.6478
H9	1.0968	2.4417	2.1932	4.9279	4.0706	2.6671	5.9503	1.8111		2.5346	3.1137	4.7610	5.0905	4.6478	4.2820
H10	2.1959	2.9992	1.1076	4.1397	2.7453	2.1366	4.8595	3.1137	2.5346		1.8060	4.3054	4.6662	3.0988	2.5190
H11	2.1959	2.9992	1.1076	4.1397	2.7453	2.1366	4.8595	2.5346	3.1137	1.8060		4.6662	4.3054	2.5190	3.0988
H12	4.8928	6.6623	4.0726	1.1025	2.1829	2.6769	1.7955	5.0905	4.7610	4.3054	4.6662		1.7924	3.1135	2.5419
H13	4.8928	6.6623	4.0726	1.1025	2.1829	2.6769	1.7955	4.7610	5.0905	4.6662	4.3054	1.7924		2.5419	3.1135
H14	4.0965	5.4095	2.7195	2.2050	1.1089	2.1270	2.5540	4.2820	4.6478	3.0988	2.5190	3.1135	2.5419		1.8036
H15	4.0965	5.4095	2.7195	2.2050	1.1089	2.1270	2.5540	4.6478	4.2820	2.5190	3.0988	2.5419	3.1135	1.8036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	104.603	C1	C3	H10	111.154
C1	C3	H11	111.154	Cl2	C1	C3	109.019
Cl2	C1	H8	106.529	Cl2	C1	H9	106.529
C3	C1	H8	111.590	C3	C1	H9	111.590
C3	O6	C5	112.883	C4	C5	O6	106.840
C4	C5	H14	111.528	C4	C5	H15	111.528
C5	C4	H7	110.079	C5	C4	H12	110.169
C5	C4	H13	110.169	O6	C3	H10	110.321
O6	C3	H11	110.321	O6	C5	H14	109.028
O6	C5	H15	109.028	H7	C4	H12	108.819
H7	C4	H13	108.819	H8	C1	H9	111.300
H10	C3	H11	109.229	H12	C4	H13	108.750
H14	C5	H15	108.820

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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