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	hartrees
Energy at 0K	-57.971405
Energy at 298.15K	-57.981517
HF Energy	-57.450458
Nuclear repulsion energy	133.869987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3011	38.32
2	A'	3075	3001	17.40
3	A'	2982	2910	26.90
4	A'	2966	2895	46.00
5	A'	2947	2877	48.21
6	A'	1550	1513	1.21
7	A'	1539	1502	1.54
8	A'	1522	1486	5.84
9	A'	1505	1468	3.20
10	A'	1456	1421	15.13
11	A'	1440	1405	0.03
12	A'	1397	1363	26.80
13	A'	1315	1283	39.49
14	A'	1147	1119	7.79
15	A'	1089	1063	19.20
16	A'	1072	1046	141.75
17	A'	997	973	28.69
18	A'	852	831	23.17
19	A'	707	690	42.19
20	A'	453	442	1.38
21	A'	353	345	4.11
22	A'	250	244	4.17
23	A'	113	111	2.11
24	A"	3176	3099	13.06
25	A"	3104	3030	42.13
26	A"	3037	2964	43.16
27	A"	3012	2940	53.72
28	A"	1508	1472	6.38
29	A"	1298	1267	0.51
30	A"	1277	1247	0.13
31	A"	1191	1163	9.12
32	A"	1162	1134	1.88
33	A"	1064	1038	2.45
34	A"	827	808	0.34
35	A"	814	795	0.02
36	A"	238	232	1.16
37	A"	136	133	13.22
38	A"	57	55	2.42
39	A"	52	51	1.54

Atom	x (Å)	y (Å)	z (Å)
C1	1.312	-1.267	0.000
Cl2	1.274	-3.163	0.000
C3	-0.136	-0.739	0.000
C4	-1.021	2.954	0.000
C5	-1.317	1.438	0.000
O6	0.000	0.739	0.000
H7	-1.966	3.524	0.000
H8	1.849	-0.967	0.907
H9	1.849	-0.967	-0.907
H10	-0.680	-1.072	-0.903
H11	-0.680	-1.072	0.903
H12	-0.441	3.226	-0.895
H13	-0.441	3.226	0.895
H14	-1.883	1.134	0.902
H15	-1.883	1.134	-0.902

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8964	1.5417	4.8235	3.7726	2.3972	5.8054	1.0952	1.0952	2.1962	2.1962	4.9058	4.9058	4.0975	4.0975
Cl2	1.8964		2.8051	6.5341	5.2809	4.1049	7.4309	2.4441	2.4441	3.0015	3.0015	6.6760	6.6760	5.4082	5.4082
C3	1.5417	2.8051		3.7974	2.4764	1.4835	4.6386	2.1937	2.1937	1.1059	1.1059	4.0759	4.0759	2.7152	2.7152
C4	4.8235	6.5341	3.7974		1.5448	2.4394	1.1037	4.9432	4.9432	4.1405	4.1405	1.1007	1.1007	2.2071	2.2071
C5	3.7726	5.2809	2.4764	1.5448		1.4910	2.1842	4.0778	4.0778	2.7427	2.7427	2.1829	2.1829	1.1076	1.1076
O6	2.3972	4.1049	1.4835	2.4394	1.4910		3.4091	2.6740	2.6740	2.1348	2.1348	2.6801	2.6801	2.1250	2.1250
H7	5.8054	7.4309	4.6386	1.1037	2.1842	3.4091		5.9619	5.9619	4.8570	4.8570	1.7935	1.7935	2.5556	2.5556
H8	1.0952	2.4441	2.1937	4.9432	4.0778	2.6740	5.9619		1.8130	3.1113	2.5309	5.1063	4.7778	4.2826	4.6488
H9	1.0952	2.4441	2.1937	4.9432	4.0778	2.6740	5.9619	1.8130		2.5309	3.1113	4.7778	5.1063	4.6488	4.2826
H10	2.1962	3.0015	1.1059	4.1405	2.7427	2.1348	4.8570	3.1113	2.5309		1.8061	4.3048	4.6654	3.0938	2.5126
H11	2.1962	3.0015	1.1059	4.1405	2.7427	2.1348	4.8570	2.5309	3.1113	1.8061		4.6654	4.3048	2.5126	3.0938
H12	4.9058	6.6760	4.0759	1.1007	2.1829	2.6801	1.7935	5.1063	4.7778	4.3048	4.6654		1.7906	3.1124	2.5410
H13	4.9058	6.6760	4.0759	1.1007	2.1829	2.6801	1.7935	4.7778	5.1063	4.6654	4.3048	1.7906		2.5410	3.1124
H14	4.0975	5.4082	2.7152	2.2071	1.1076	2.1250	2.5556	4.2826	4.6488	3.0938	2.5126	3.1124	2.5410		1.8040
H15	4.0975	5.4082	2.7152	2.2071	1.1076	2.1250	2.5556	4.6488	4.2826	2.5126	3.0938	2.5410	3.1124	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	104.808	C1	C3	H10	111.027
C1	C3	H11	111.027	Cl2	C1	C3	108.916
Cl2	C1	H8	106.478	Cl2	C1	H9	106.478
C3	C1	H8	111.473	C3	C1	H9	111.473
C3	O6	C5	112.724	C4	C5	O6	106.929
C4	C5	H14	111.569	C4	C5	H15	111.569
C5	C4	H7	109.999	C5	C4	H12	110.072
C5	C4	H13	110.072	O6	C3	H10	110.207
O6	C3	H11	110.207	O6	C5	H14	108.820
O6	C5	H15	108.820	H7	C4	H12	108.902
H7	C4	H13	108.902	H8	C1	H9	111.732
H10	C3	H11	109.491	H12	C4	H13	108.861
H14	C5	H15	109.046

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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