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	hartrees
Energy at 0K	-692.002344
Energy at 298.15K	-692.012814
HF Energy	-691.118520
Nuclear repulsion energy	291.110682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3024	21.46
2	A'	3144	2988	15.99
3	A'	3090	2936	15.63
4	A'	3040	2889	52.51
5	A'	3029	2878	28.78
6	A'	1575	1496	3.34
7	A'	1558	1480	3.90
8	A'	1540	1464	5.07
9	A'	1527	1451	3.89
10	A'	1483	1409	11.20
11	A'	1444	1373	22.76
12	A'	1421	1350	15.14
13	A'	1335	1269	24.64
14	A'	1192	1133	142.90
15	A'	1176	1118	88.34
16	A'	1112	1057	3.24
17	A'	1073	1020	17.45
18	A'	926	880	15.04
19	A'	810	770	38.99
20	A'	491	466	0.97
21	A'	388	369	2.98
22	A'	274	260	2.74
23	A'	126	120	1.49
24	A"	3218	3058	7.10
25	A"	3190	3032	23.10
26	A"	3090	2937	28.51
27	A"	3074	2921	61.80
28	A"	1523	1447	8.67
29	A"	1337	1271	3.38
30	A"	1328	1262	0.67
31	A"	1253	1191	3.75
32	A"	1211	1150	5.08
33	A"	1108	1053	4.80
34	A"	842	800	0.57
35	A"	825	784	0.13
36	A"	265	252	1.11
37	A"	166	158	8.55
38	A"	81	77	1.67
39	A"	64	61	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	-1.354	-0.271	0.000
Cl2	-2.639	0.972	0.000
C3	0.000	0.402	0.000
C4	3.217	-1.314	0.000
C5	2.272	-0.133	0.000
O6	0.948	-0.639	0.000
H7	4.254	-0.970	0.000
H8	-1.482	-0.881	0.892
H9	-1.482	-0.881	-0.892
H10	0.107	1.038	-0.890
H11	0.107	1.038	0.890
H12	3.053	-1.930	-0.886
H13	3.053	-1.930	0.886
H14	2.431	0.496	0.888
H15	2.431	0.496	-0.888

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7881	1.5119	4.6885	3.6283	2.3314	5.6513	1.0886	1.0886	2.1539	2.1539	4.7911	4.7911	3.9625	3.9625
Cl2	1.7881		2.7002	6.2870	5.0342	3.9329	7.1618	2.3602	2.3602	2.8876	2.8876	6.4502	6.4502	5.1696	5.1696
C3	1.5119	2.7002		3.6465	2.3342	1.4084	4.4699	2.1540	2.1540	1.0994	1.0994	3.9425	3.9425	2.5899	2.5899
C4	4.6885	6.2870	3.6465		1.5126	2.3672	1.0927	4.8026	4.8026	4.0003	4.0003	1.0913	1.0913	2.1642	2.1642
C5	3.6283	5.0342	2.3342	1.5126		1.4168	2.1514	3.9303	3.9303	2.6180	2.6180	2.1500	2.1500	1.1002	1.1002
O6	2.3314	3.9329	1.4084	2.3672	1.4168		3.3222	2.6003	2.6003	2.0771	2.0771	2.6229	2.6229	2.0676	2.0676
H7	5.6513	7.1618	4.4699	1.0927	2.1514	3.3222		5.8057	5.8057	4.6932	4.6932	1.7750	1.7750	2.5022	2.5022
H8	1.0886	2.3602	2.1540	4.8026	3.9303	2.6003	5.8057		1.7843	3.0637	2.4917	4.9823	4.6543	4.1482	4.5142
H9	1.0886	2.3602	2.1540	4.8026	3.9303	2.6003	5.8057	1.7843		2.4917	3.0637	4.6543	4.9823	4.5142	4.1482
H10	2.1539	2.8876	1.0994	4.0003	2.6180	2.0771	4.6932	3.0637	2.4917		1.7808	4.1821	4.5436	2.9766	2.3867
H11	2.1539	2.8876	1.0994	4.0003	2.6180	2.0771	4.6932	2.4917	3.0637	1.7808		4.5436	4.1821	2.3867	2.9766
H12	4.7911	6.4502	3.9425	1.0913	2.1500	2.6229	1.7750	4.9823	4.6543	4.1821	4.5436		1.7716	3.0691	2.5044
H13	4.7911	6.4502	3.9425	1.0913	2.1500	2.6229	1.7750	4.6543	4.9823	4.5436	4.1821	1.7716		2.5044	3.0691
H14	3.9625	5.1696	2.5899	2.1642	1.1002	2.0676	2.5022	4.1482	4.5142	2.9766	2.3867	3.0691	2.5044		1.7766
H15	3.9625	5.1696	2.5899	2.1642	1.1002	2.0676	2.5022	4.5142	4.1482	2.3867	2.9766	2.5044	3.0691	1.7766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	105.896	C1	C3	H10	110.147
C1	C3	H11	110.147	Cl2	C1	C3	109.536
Cl2	C1	H8	107.766	Cl2	C1	H9	107.766
C3	C1	H8	110.799	C3	C1	H9	110.799
C3	O6	C5	111.426	C4	C5	O6	107.769
C4	C5	H14	110.867	C4	C5	H15	110.867
C5	C4	H7	110.293	C5	C4	H12	110.263
C5	C4	H13	110.263	O6	C3	H10	111.241
O6	C3	H11	111.241	O6	C5	H14	109.824
O6	C5	H15	109.824	H7	C4	H12	108.727
H7	C4	H13	108.727	H8	C1	H9	110.074
H10	C3	H11	108.172	H12	C4	H13	108.520
H14	C5	H15	107.695

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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