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	hartrees
Energy at 0K	-691.133176
Energy at 298.15K	-691.143858
Nuclear repulsion energy	291.591525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	2964	22.37
2	A'	3237	2940	47.80
3	A'	3172	2882	23.63
4	A'	3155	2866	59.04
5	A'	3131	2845	34.72
6	A'	1663	1511	1.90
7	A'	1646	1496	4.34
8	A'	1622	1474	8.19
9	A'	1618	1470	2.61
10	A'	1589	1444	10.14
11	A'	1544	1403	40.50
12	A'	1515	1376	16.29
13	A'	1406	1277	42.56
14	A'	1285	1168	303.43
15	A'	1258	1142	30.77
16	A'	1151	1046	1.12
17	A'	1126	1023	16.55
18	A'	978	888	16.91
19	A'	806	732	77.81
20	A'	512	465	0.69
21	A'	403	366	2.92
22	A'	284	258	3.52
23	A'	132	120	1.65
24	A"	3328	3023	12.85
25	A"	3246	2949	53.75
26	A"	3189	2898	55.27
27	A"	3159	2870	51.44
28	A"	1599	1452	5.32
29	A"	1421	1291	6.74
30	A"	1412	1283	0.12
31	A"	1329	1207	6.08
32	A"	1285	1167	4.56
33	A"	1159	1053	4.25
34	A"	885	804	0.03
35	A"	862	783	0.08
36	A"	275	250	1.57
37	A"	169	153	10.81
38	A"	88	80	1.96
39	A"	65	59	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-1.338	-0.289	0.000
Cl2	-2.680	0.907	0.000
C3	0.000	0.420	0.000
C4	3.236	-1.281	0.000
C5	2.293	-0.097	0.000
O6	0.976	-0.571	0.000
H7	4.268	-0.943	0.000
H8	-1.455	-0.897	0.882
H9	-1.455	-0.897	-0.882
H10	0.086	1.054	-0.881
H11	0.086	1.054	0.881
H12	3.073	-1.895	-0.880
H13	3.073	-1.895	0.880
H14	2.462	0.525	0.879
H15	2.462	0.525	-0.879

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7970	1.5145	4.6809	3.6368	2.3314	5.6443	1.0780	1.0780	2.1464	2.1464	4.7762	4.7762	3.9844	3.9844
Cl2	1.7970		2.7235	6.3075	5.0732	3.9430	7.1895	2.3527	2.3527	2.9061	2.9061	6.4587	6.4587	5.2298	5.2298
C3	1.5145	2.7235		3.6560	2.3508	1.3910	4.4801	2.1517	2.1517	1.0883	1.0883	3.9464	3.9464	2.6160	2.6160
C4	4.6809	6.3075	3.6560		1.5140	2.3692	1.0859	4.7883	4.7883	4.0188	4.0188	1.0847	1.0847	2.1531	2.1531
C5	3.6368	5.0732	2.3508	1.5140		1.4004	2.1481	3.9328	3.9328	2.6403	2.6403	2.1480	2.1480	1.0899	1.0899
O6	2.3314	3.9430	1.3910	2.3692	1.4004		3.3129	2.6060	2.6060	2.0513	2.0513	2.6311	2.6311	2.0452	2.0452
H7	5.6443	7.1895	4.4801	1.0859	2.1481	3.3129		5.7902	5.7902	4.7168	4.7168	1.7630	1.7630	2.4879	2.4879
H8	1.0780	2.3527	2.1517	4.7883	3.9328	2.6060	5.7902		1.7643	3.0476	2.4860	4.9594	4.6360	4.1666	4.5236
H9	1.0780	2.3527	2.1517	4.7883	3.9328	2.6060	5.7902	1.7643		2.4860	3.0476	4.6360	4.9594	4.5236	4.1666
H10	2.1464	2.9061	1.0883	4.0188	2.6403	2.0513	4.7168	3.0476	2.4860		1.7613	4.1969	4.5511	3.0033	2.4337
H11	2.1464	2.9061	1.0883	4.0188	2.6403	2.0513	4.7168	2.4860	3.0476	1.7613		4.5511	4.1969	2.4337	3.0033
H12	4.7762	6.4587	3.9464	1.0847	2.1480	2.6311	1.7630	4.9594	4.6360	4.1969	4.5511		1.7591	3.0532	2.4958
H13	4.7762	6.4587	3.9464	1.0847	2.1480	2.6311	1.7630	4.6360	4.9594	4.5511	4.1969	1.7591		2.4958	3.0532
H14	3.9844	5.2298	2.6160	2.1531	1.0899	2.0452	2.4879	4.1666	4.5236	3.0033	2.4337	3.0532	2.4958		1.7584
H15	3.9844	5.2298	2.6160	2.1531	1.0899	2.0452	2.4879	4.5236	4.1666	2.4337	3.0033	2.4958	3.0532	1.7584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.642	C1	C3	H10	110.020
C1	C3	H11	110.020	Cl2	C1	C3	110.365
Cl2	C1	H8	107.177	Cl2	C1	H9	107.177
C3	C1	H8	111.068	C3	C1	H9	111.068
C3	O6	C5	114.739	C4	C5	O6	108.703
C4	C5	H14	110.502	C4	C5	H15	110.502
C5	C4	H7	110.340	C5	C4	H12	110.413
C5	C4	H13	110.413	O6	C3	H10	111.070
O6	C3	H11	111.070	O6	C5	H14	109.791
O6	C5	H15	109.791	H7	C4	H12	108.623
H7	C4	H13	108.623	H8	C1	H9	109.837
H10	C3	H11	108.027	H12	C4	H13	108.369
H14	C5	H15	107.545

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.218
2	Cl	-0.164
3	C	0.124
4	C	-0.251
5	C	0.086
6	O	-0.487
7	H	0.087
8	H	0.154
9	H	0.154
10	H	0.089
11	H	0.089
12	H	0.098
13	H	0.098
14	H	0.070
15	H	0.070

	x	y	z	Total
	2.448	-0.254	0.000	2.461
CHELPG
AIM
ESP

	x	y	z
x	10.563	-1.494	0.000
y	-1.494	8.036	0.000
z	0.000	0.000	6.817

<r²>	364.022
(<r²>)^1/2	19.079

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

using model chemistry: HF/6-311G**

States and conformations

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