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	hartrees
Energy at 0K	-693.172551
Energy at 298.15K	-693.182614
Nuclear repulsion energy	285.739573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3036	3030	25.52
2	A'	3023	3018	13.33
3	A'	2967	2962	20.38
4	A'	2908	2903	58.75
5	A'	2890	2885	41.08
6	A'	1462	1459	2.27
7	A'	1450	1447	2.40
8	A'	1434	1432	3.28
9	A'	1428	1425	1.89
10	A'	1377	1374	11.64
11	A'	1345	1342	3.48
12	A'	1316	1313	17.22
13	A'	1214	1212	19.72
14	A'	1104	1102	17.08
15	A'	1056	1054	235.23
16	A'	1032	1030	1.75
17	A'	985	983	18.69
18	A'	853	851	19.71
19	A'	698	697	45.56
20	A'	460	459	0.22
21	A'	361	361	2.07
22	A'	254	253	2.94
23	A'	120	120	1.26
24	A"	3091	3085	5.81
25	A"	3042	3036	28.91
26	A"	2943	2937	31.48
27	A"	2920	2914	60.38
28	A"	1420	1417	5.73
29	A"	1244	1242	2.23
30	A"	1241	1239	0.07
31	A"	1159	1157	4.52
32	A"	1126	1123	2.13
33	A"	1009	1007	1.34
34	A"	796	794	0.57
35	A"	775	773	0.26
36	A"	230	230	0.47
37	A"	134	134	6.51
38	A"	80	79	2.53
39	A"	53	53	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	-1.377	-0.264	0.000
Cl2	-2.695	1.023	0.000
C3	0.000	0.405	0.000
C4	3.273	-1.371	0.000
C5	2.329	-0.169	0.000
O6	0.969	-0.657	0.000
H7	4.323	-1.024	0.000
H8	-1.531	-0.874	0.903
H9	-1.531	-0.874	-0.903
H10	0.119	1.045	-0.900
H11	0.119	1.045	0.900
H12	3.111	-1.996	-0.897
H13	3.111	-1.996	0.897
H14	2.493	0.466	0.899
H15	2.493	0.466	-0.899

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8418	1.5304	4.7800	3.7073	2.3781	5.7503	1.1005	1.1005	2.1816	2.1816	4.8935	4.8935	4.0397	4.0397
Cl2	1.8418		2.7647	6.4301	5.1634	4.0299	7.3101	2.4015	2.4015	2.9542	2.9542	6.6048	6.6048	5.2947	5.2947
C3	1.5304	2.7647		3.7238	2.3989	1.4367	4.5529	2.1891	2.1891	1.1111	1.1111	4.0304	4.0304	2.6511	2.6511
C4	4.7800	6.4301	3.7238		1.5283	2.4128	1.1057	4.9131	4.9131	4.0738	4.0738	1.1047	1.1047	2.1889	2.1889
C5	3.7073	5.1634	2.3989	1.5283		1.4454	2.1693	4.0263	4.0263	2.6776	2.6776	2.1798	2.1798	1.1126	1.1126
O6	2.3781	4.0299	1.4367	2.4128	1.4454		3.3745	2.6662	2.6662	2.1039	2.1039	2.6811	2.6811	2.0960	2.0960
H7	5.7503	7.3101	4.5529	1.1057	2.1693	3.3745		5.9247	5.9247	4.7712	4.7712	1.7934	1.7934	2.5250	2.5250
H8	1.1005	2.4015	2.1891	4.9131	4.0263	2.6662	5.9247		1.8060	3.1069	2.5299	5.1035	4.7755	4.2413	4.6080
H9	1.1005	2.4015	2.1891	4.9131	4.0263	2.6662	5.9247	1.8060		2.5299	3.1069	4.7755	5.1035	4.6080	4.2413
H10	2.1816	2.9542	1.1111	4.0738	2.6776	2.1039	4.7712	3.1069	2.5299		1.8010	4.2656	4.6289	3.0348	2.4440
H11	2.1816	2.9542	1.1111	4.0738	2.6776	2.1039	4.7712	2.5299	3.1069	1.8010		4.6289	4.2656	2.4440	3.0348
H12	4.8935	6.6048	4.0304	1.1047	2.1798	2.6811	1.7934	5.1035	4.7755	4.2656	4.6289		1.7940	3.1089	2.5379
H13	4.8935	6.6048	4.0304	1.1047	2.1798	2.6811	1.7934	4.7755	5.1035	4.6289	4.2656	1.7940		2.5379	3.1089
H14	4.0397	5.2947	2.6511	2.1889	1.1126	2.0960	2.5250	4.2413	4.6080	3.0348	2.4440	3.1089	2.5379		1.7971
H15	4.0397	5.2947	2.6511	2.1889	1.1126	2.0960	2.5250	4.6080	4.2413	2.4440	3.0348	2.5379	3.1089	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.499	C1	C3	H10	110.349
C1	C3	H11	110.349	Cl2	C1	C3	109.795
Cl2	C1	H8	106.690	Cl2	C1	H9	106.690
C3	C1	H8	111.578	C3	C1	H9	111.578
C3	O6	C5	112.680	C4	C5	O6	108.425
C4	C5	H14	110.976	C4	C5	H15	110.976
C5	C4	H7	109.843	C5	C4	H12	110.730
C5	C4	H13	110.730	O6	C3	H10	110.688
O6	C3	H11	110.688	O6	C5	H14	109.356
O6	C5	H15	109.356	H7	C4	H12	108.446
H7	C4	H13	108.446	H8	C1	H9	110.274
H10	C3	H11	108.278	H12	C4	H13	108.578
H14	C5	H15	107.729

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

using model chemistry: BLYP/aug-cc-pVDZ

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	0.748
2	Cl	-0.066
3	C	1.088
4	C	0.973
5	C	1.185
6	O	-0.462
7	H	-0.306
8	H	-0.340
9	H	-0.340
10	H	-0.436
11	H	-0.436
12	H	-0.318
13	H	-0.318
14	H	-0.486
15	H	-0.486

	x	y	z	Total
	2.143	-0.332	0.000	2.168
CHELPG
AIM
ESP

	x	y	z
x	14.374	-1.714	0.000
y	-1.714	10.936	0.000
z	0.000	0.000	9.408

<r²>	377.299
(<r²>)^1/2	19.424

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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