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	hartrees
Energy at 0K	-693.205641
Energy at 298.15K	-693.215758
Nuclear repulsion energy	283.792673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3024	20.41
2	A'	3144	3023	37.65
3	A'	3054	2935	24.55
4	A'	3021	2904	60.50
5	A'	2998	2882	51.23
6	A'	1543	1483	5.76
7	A'	1532	1472	1.76
8	A'	1522	1463	10.87
9	A'	1507	1449	5.17
10	A'	1450	1394	12.73
11	A'	1437	1381	8.26
12	A'	1387	1333	21.08
13	A'	1296	1246	17.32
14	A'	1155	1110	25.98
15	A'	1104	1061	145.23
16	A'	1095	1053	29.76
17	A'	1018	979	20.09
18	A'	867	833	16.16
19	A'	693	666	51.68
20	A'	460	442	0.69
21	A'	357	344	4.31
22	A'	253	243	4.69
23	A'	117	113	1.97
24	A"	3233	3108	15.40
25	A"	3157	3034	45.30
26	A"	3074	2955	50.49
27	A"	3047	2929	59.92
28	A"	1504	1446	10.37
29	A"	1298	1248	0.64
30	A"	1291	1241	0.08
31	A"	1200	1153	7.44
32	A"	1169	1124	3.51
33	A"	1047	1006	0.77
34	A"	840	808	5.43
35	A"	825	793	1.30
36	A"	236	227	1.16
37	A"	138	132	13.13
38	A"	71	68	3.98
39	A"	57	54	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-0.260	0.000
Cl2	-2.717	1.055	0.000
C3	0.000	0.427	0.000
C4	3.263	-1.430	0.000
C5	2.368	-0.194	0.000
O6	0.977	-0.654	0.000
H7	4.321	-1.138	0.000
H8	-1.516	-0.858	0.898
H9	-1.516	-0.858	-0.898
H10	0.116	1.059	-0.895
H11	0.116	1.059	0.895
H12	3.069	-2.042	-0.888
H13	3.069	-2.042	0.888
H14	2.549	0.428	0.893
H15	2.549	0.428	-0.893

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8893	1.5245	4.7695	3.7291	2.3708	5.7492	1.0898	1.0898	2.1730	2.1730	4.8566	4.8566	4.0697	4.0697
Cl2	1.8893		2.7888	6.4759	5.2358	4.0702	7.3717	2.4305	2.4305	2.9707	2.9707	6.6226	6.6226	5.3785	5.3785
C3	1.5245	2.7888		3.7543	2.4475	1.4567	4.5954	2.1807	2.1807	1.1017	1.1017	4.0375	4.0375	2.7015	2.7015
C4	4.7695	6.4759	3.7543		1.5267	2.4142	1.0978	4.8965	4.8965	4.1113	4.1113	1.0958	1.0958	2.1817	2.1817
C5	3.7291	5.2358	2.4475	1.5267		1.4647	2.1694	4.0413	4.0413	2.7278	2.7278	2.1673	2.1673	1.1034	1.1034
O6	2.3708	4.0702	1.4567	2.4142	1.4647		3.3787	2.6581	2.6581	2.1158	2.1158	2.6631	2.6631	2.1072	2.1072
H7	5.7492	7.3717	4.5954	1.0978	2.1694	3.3787		5.9126	5.9126	4.8281	4.8281	1.7818	1.7818	2.5272	2.5272
H8	1.0898	2.4305	2.1807	4.8965	4.0413	2.6581	5.9126		1.7963	3.0907	2.5176	5.0614	4.7357	4.2642	4.6253
H9	1.0898	2.4305	2.1807	4.8965	4.0413	2.6581	5.9126	1.7963		2.5176	3.0907	4.7357	5.0614	4.6253	4.2642
H10	2.1730	2.9707	1.1017	4.1113	2.7278	2.1158	4.8281	3.0907	2.5176		1.7892	4.2824	4.6387	3.0852	2.5143
H11	2.1730	2.9707	1.1017	4.1113	2.7278	2.1158	4.8281	2.5176	3.0907	1.7892		4.6387	4.2824	2.5143	3.0852
H12	4.8566	6.6226	4.0375	1.0958	2.1673	2.6631	1.7818	5.0614	4.7357	4.2824	4.6387		1.7764	3.0894	2.5240
H13	4.8566	6.6226	4.0375	1.0958	2.1673	2.6631	1.7818	4.7357	5.0614	4.6387	4.2824	1.7764		2.5240	3.0894
H14	4.0697	5.3785	2.7015	2.1817	1.1034	2.1072	2.5272	4.2642	4.6253	3.0852	2.5143	3.0894	2.5240		1.7867
H15	4.0697	5.3785	2.7015	2.1817	1.1034	2.1072	2.5272	4.6253	4.2642	2.5143	3.0852	2.5240	3.0894	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	105.340	C1	C3	H10	110.641
C1	C3	H11	110.641	Cl2	C1	C3	109.089
Cl2	C1	H8	106.219	Cl2	C1	H9	106.219
C3	C1	H8	111.984	C3	C1	H9	111.984
C3	O6	C5	113.819	C4	C5	O6	107.600
C4	C5	H14	111.078	C4	C5	H15	111.078
C5	C4	H7	110.438	C5	C4	H12	110.386
C5	C4	H13	110.386	O6	C3	H10	110.817
O6	C3	H11	110.817	O6	C5	H14	109.476
O6	C5	H15	109.476	H7	C4	H12	108.637
H7	C4	H13	108.637	H8	C1	H9	110.996
H10	C3	H11	108.580	H12	C4	H13	108.296
H14	C5	H15	108.117

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.527
2	Cl	-0.097
3	C	-0.130
4	C	-0.622
5	C	-0.155
6	O	-0.330
7	H	0.187
8	H	0.257
9	H	0.257
10	H	0.191
11	H	0.191
12	H	0.213
13	H	0.213
14	H	0.175
15	H	0.175

	x	y	z	Total
	2.620	-0.017	0.000	2.620
CHELPG
AIM
ESP

	x	y	z
x	10.569	-1.948	0.000
y	-1.948	7.705	0.000
z	0.000	0.000	6.133

<r²>	381.645
(<r²>)^1/2	19.536

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

using model chemistry: B3LYP/SDD

States and conformations

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