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	hartrees
Energy at 0K	-691.161953
Energy at 298.15K	-691.172640
Nuclear repulsion energy	292.151439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	2949	18.93
2	A'	3227	2932	43.06
3	A'	3166	2876	23.22
4	A'	3143	2856	57.24
5	A'	3119	2834	34.57
6	A'	1659	1508	3.11
7	A'	1642	1492	4.49
8	A'	1621	1473	7.62
9	A'	1616	1469	1.35
10	A'	1586	1441	7.81
11	A'	1540	1400	28.69
12	A'	1515	1376	19.49
13	A'	1398	1270	31.76
14	A'	1284	1167	308.44
15	A'	1254	1139	30.94
16	A'	1147	1042	1.91
17	A'	1125	1023	13.60
18	A'	975	886	14.28
19	A'	810	736	66.54
20	A'	513	466	0.57
21	A'	404	367	2.56
22	A'	284	258	3.14
23	A'	132	120	1.33
24	A"	3308	3006	8.20
25	A"	3235	2940	47.41
26	A"	3174	2884	43.88
27	A"	3144	2856	45.06
28	A"	1600	1453	5.49
29	A"	1421	1291	4.21
30	A"	1411	1282	0.46
31	A"	1328	1206	6.48
32	A"	1283	1166	3.01
33	A"	1152	1047	1.47
34	A"	881	801	0.13
35	A"	856	778	0.07
36	A"	273	248	1.25
37	A"	169	154	9.74
38	A"	91	83	1.76
39	A"	65	59	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	-1.347	-0.278	0.000
Cl2	-2.663	0.933	0.000
C3	0.000	0.412	0.000
C4	3.225	-1.304	0.000
C5	2.286	-0.119	0.000
O6	0.968	-0.582	0.000
H7	4.255	-0.964	0.000
H8	-1.472	-0.886	0.880
H9	-1.472	-0.886	-0.880
H10	0.092	1.045	-0.879
H11	0.092	1.045	0.879
H12	3.066	-1.917	-0.878
H13	3.066	-1.917	0.878
H14	2.458	0.502	0.877
H15	2.458	0.502	-0.877

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7877	1.5136	4.6865	3.6364	2.3355	5.6438	1.0767	1.0767	2.1430	2.1430	4.7888	4.7888	3.9819	3.9819
Cl2	1.7877		2.7134	6.2988	5.0590	3.9345	7.1728	2.3452	2.3452	2.8935	2.8935	6.4582	6.4582	5.2130	5.2130
C3	1.5136	2.7134		3.6534	2.3464	1.3877	4.4715	2.1503	2.1503	1.0870	1.0870	3.9488	3.9488	2.6111	2.6111
C4	4.6865	6.2988	3.6534		1.5125	2.3698	1.0838	4.7971	4.7971	4.0138	4.0138	1.0828	1.0828	2.1496	2.1496
C5	3.6364	5.0590	2.3464	1.5125		1.3965	2.1427	3.9344	3.9344	2.6344	2.6344	2.1477	2.1477	1.0885	1.0885
O6	2.3355	3.9345	1.3877	2.3698	1.3965		3.3084	2.6115	2.6115	2.0466	2.0466	2.6366	2.6366	2.0405	2.0405
H7	5.6438	7.1728	4.4715	1.0838	2.1427	3.3084		5.7940	5.7940	4.7051	4.7051	1.7586	1.7586	2.4795	2.4795
H8	1.0767	2.3452	2.1503	4.7971	3.9344	2.6115	5.7940		1.7598	3.0438	2.4843	4.9741	4.6531	4.1672	4.5226
H9	1.0767	2.3452	2.1503	4.7971	3.9344	2.6115	5.7940	1.7598		2.4843	3.0438	4.6531	4.9741	4.5226	4.1672
H10	2.1430	2.8935	1.0870	4.0138	2.6344	2.0466	4.7051	3.0438	2.4843		1.7576	4.1974	4.5502	2.9962	2.4275
H11	2.1430	2.8935	1.0870	4.0138	2.6344	2.0466	4.7051	2.4843	3.0438	1.7576		4.5502	4.1974	2.4275	2.9962
H12	4.7888	6.4582	3.9488	1.0828	2.1477	2.6366	1.7586	4.9741	4.6531	4.1974	4.5502		1.7562	3.0501	2.4942
H13	4.7888	6.4582	3.9488	1.0828	2.1477	2.6366	1.7586	4.6531	4.9741	4.5502	4.1974	1.7562		2.4942	3.0501
H14	3.9819	5.2130	2.6111	2.1496	1.0885	2.0405	2.4795	4.1672	4.5226	2.9962	2.4275	3.0501	2.4942		1.7549
H15	3.9819	5.2130	2.6111	2.1496	1.0885	2.0405	2.4795	4.5226	4.1672	2.4275	2.9962	2.4942	3.0501	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.141	C1	C3	H10	109.905
C1	C3	H11	109.905	Cl2	C1	C3	110.277
Cl2	C1	H8	107.295	Cl2	C1	H9	107.295
C3	C1	H8	111.105	C3	C1	H9	111.105
C3	O6	C5	114.867	C4	C5	O6	109.037
C4	C5	H14	110.404	C4	C5	H15	110.404
C5	C4	H7	110.139	C5	C4	H12	110.605
C5	C4	H13	110.605	O6	C3	H10	111.003
O6	C3	H11	111.003	O6	C5	H14	109.774
O6	C5	H15	109.774	H7	C4	H12	108.523
H7	C4	H13	108.523	H8	C1	H9	109.617
H10	C3	H11	107.892	H12	C4	H13	108.381
H14	C5	H15	107.432

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.303
2	Cl	-0.345
3	C	0.451
4	C	-0.387
5	C	0.245
6	O	-0.806
7	H	0.117
8	H	0.152
9	H	0.152
10	H	0.131
11	H	0.131
12	H	0.123
13	H	0.123
14	H	0.108
15	H	0.108

	x	y	z	Total
	2.251	-0.237	0.000	2.264
CHELPG
AIM
ESP

	x	y	z
x	11.858	-1.326	0.000
y	-1.326	9.260	0.000
z	0.000	0.000	8.175

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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