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	hartrees
Energy at 0K	-691.171647
Energy at 298.15K	-691.182328
HF Energy	-691.171647
Nuclear repulsion energy	292.083560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	2946	20.76
2	A'	3230	2928	43.88
3	A'	3169	2872	23.65
4	A'	3147	2852	59.90
5	A'	3123	2831	33.93
6	A'	1660	1505	2.30
7	A'	1644	1490	4.69
8	A'	1622	1470	7.49
9	A'	1616	1465	1.76
10	A'	1587	1438	8.33
11	A'	1541	1397	30.40
12	A'	1516	1374	20.01
13	A'	1399	1268	32.28
14	A'	1282	1162	303.75
15	A'	1254	1136	33.00
16	A'	1146	1039	1.71
17	A'	1124	1019	14.16
18	A'	975	884	14.63
19	A'	810	734	66.24
20	A'	513	465	0.60
21	A'	404	367	2.66
22	A'	284	258	3.13
23	A'	133	120	1.34
24	A"	3311	3001	10.45
25	A"	3239	2936	48.43
26	A"	3177	2880	47.42
27	A"	3148	2853	47.34
28	A"	1600	1450	5.11
29	A"	1421	1288	4.65
30	A"	1412	1280	0.31
31	A"	1328	1204	6.33
32	A"	1284	1164	3.22
33	A"	1154	1046	2.08
34	A"	883	800	0.09
35	A"	858	778	0.08
36	A"	273	248	1.21
37	A"	169	153	9.45
38	A"	93	84	1.90
39	A"	66	60	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.356	-0.264	0.000
Cl2	-2.663	0.956	0.000
C3	0.000	0.408	0.000
C4	3.230	-1.324	0.000
C5	2.292	-0.138	0.000
O6	0.966	-0.598	0.000
H7	4.262	-0.993	0.000
H8	-1.485	-0.872	0.878
H9	-1.485	-0.872	-0.878
H10	0.109	1.037	-0.878
H11	0.109	1.037	0.878
H12	3.067	-1.936	-0.877
H13	3.067	-1.936	0.877
H14	2.454	0.483	0.876
H15	2.454	0.483	-0.876

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7886	1.5136	4.7070	3.6500	2.3456	5.6649	1.0757	1.0757	2.1464	2.1464	4.8085	4.8085	3.9804	3.9804
Cl2	1.7886		2.7191	6.3194	5.0747	3.9480	7.1944	2.3457	2.3457	2.9088	2.9088	6.4781	6.4781	5.2137	5.2137
C3	1.5136	2.7191		3.6655	2.3562	1.3948	4.4864	2.1484	2.1484	1.0847	1.0847	3.9584	3.9584	2.6072	2.6072
C4	4.7070	6.3194	3.6655		1.5124	2.3780	1.0836	4.8176	4.8176	4.0108	4.0108	1.0819	1.0819	2.1530	2.1530
C5	3.6500	5.0747	2.3562	1.5124		1.4036	2.1475	3.9465	3.9465	2.6298	2.6298	2.1452	2.1452	1.0863	1.0863
O6	2.3456	3.9480	1.3948	2.3780	1.4036		3.3197	2.6178	2.6178	2.0435	2.0435	2.6405	2.6405	2.0376	2.0376
H7	5.6649	7.1944	4.4864	1.0836	2.1475	3.3197		5.8149	5.8149	4.7051	4.7051	1.7571	1.7571	2.4927	2.4927
H8	1.0757	2.3457	2.1484	4.8176	3.9465	2.6178	5.8149		1.7562	3.0438	2.4864	4.9930	4.6742	4.1658	4.5202
H9	1.0757	2.3457	2.1484	4.8176	3.9465	2.6178	5.8149	1.7562		2.4864	3.0438	4.6742	4.9930	4.5202	4.1658
H10	2.1464	2.9088	1.0847	4.0108	2.6298	2.0435	4.7051	3.0438	2.4864		1.7553	4.1932	4.5456	2.9808	2.4100
H11	2.1464	2.9088	1.0847	4.0108	2.6298	2.0435	4.7051	2.4864	3.0438	1.7553		4.5456	4.1932	2.4100	2.9808
H12	4.8085	6.4781	3.9584	1.0819	2.1452	2.6405	1.7571	4.9930	4.6742	4.1932	4.5456		1.7544	3.0497	2.4950
H13	4.8085	6.4781	3.9584	1.0819	2.1452	2.6405	1.7571	4.6742	4.9930	4.5456	4.1932	1.7544		2.4950	3.0497
H14	3.9804	5.2137	2.6072	2.1530	1.0863	2.0376	2.4927	4.1658	4.5202	2.9808	2.4100	3.0497	2.4950		1.7530
H15	3.9804	5.2137	2.6072	2.1530	1.0863	2.0376	2.4927	4.5202	4.1658	2.4100	2.9808	2.4950	3.0497	1.7530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.442	C1	C3	H10	110.310
C1	C3	H11	110.310	Cl2	C1	C3	110.586
Cl2	C1	H8	107.327	Cl2	C1	H9	107.327
C3	C1	H8	111.015	C3	C1	H9	111.015
C3	O6	C5	114.699	C4	C5	O6	109.220
C4	C5	H14	110.825	C4	C5	H15	110.825
C5	C4	H7	110.551	C5	C4	H12	110.463
C5	C4	H13	110.463	O6	C3	H10	110.385
O6	C3	H11	110.385	O6	C5	H14	109.176
O6	C5	H15	109.176	H7	C4	H12	108.473
H7	C4	H13	108.473	H8	C1	H9	109.432
H10	C3	H11	108.021	H12	C4	H13	108.347
H14	C5	H15	107.579

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

using model chemistry: HF/Def2TZVPP

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	0.026
2	Cl	-0.195
3	C	0.120
4	C	-0.159
5	C	0.143
6	O	-0.403
7	H	0.046
8	H	0.077
9	H	0.077
10	H	0.043
11	H	0.043
12	H	0.058
13	H	0.058
14	H	0.032
15	H	0.032

	x	y	z	Total
	2.214	-0.258	0.000	2.229
CHELPG
AIM
ESP

	x	y	z
x	11.351	-1.379	0.000
y	-1.379	8.828	0.000
z	0.000	0.000	7.725

<r²>	362.861
(<r²>)^1/2	19.049

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

using model chemistry: HF/Def2TZVPP

States and conformations

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