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	hartrees
Energy at 0K	-692.744230
Energy at 298.15K	-692.754440
Nuclear repulsion energy	288.482678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3077	3027	21.15
2	A'	3040	2990	15.32
3	A'	2997	2948	15.72
4	A'	2911	2863	60.92
5	A'	2895	2847	32.10
6	A'	1517	1492	1.53
7	A'	1497	1472	4.83
8	A'	1483	1459	5.72
9	A'	1472	1447	2.10
10	A'	1417	1394	14.92
11	A'	1382	1359	8.64
12	A'	1353	1330	28.52
13	A'	1258	1237	23.47
14	A'	1142	1123	140.35
15	A'	1122	1104	112.61
16	A'	1055	1037	1.40
17	A'	1027	1010	15.38
18	A'	885	871	12.58
19	A'	749	736	43.65
20	A'	467	459	0.39
21	A'	368	362	2.51
22	A'	260	256	3.39
23	A'	119	117	1.37
24	A"	3103	3052	8.29
25	A"	3079	3028	23.36
26	A"	2942	2894	34.85
27	A"	2922	2874	76.56
28	A"	1466	1442	6.29
29	A"	1268	1247	1.33
30	A"	1267	1246	0.63
31	A"	1193	1173	5.07
32	A"	1154	1135	3.49
33	A"	1044	1027	2.55
34	A"	809	796	1.37
35	A"	791	778	0.60
36	A"	253	249	0.68
37	A"	152	150	6.22
38	A"	89	88	2.81
39	A"	62	61	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-1.363	-0.279	0.000
Cl2	-2.686	0.951	0.000
C3	0.000	0.406	0.000
C4	3.265	-1.295	0.000
C5	2.302	-0.118	0.000
O6	0.970	-0.628	0.000
H7	4.308	-0.936	0.000
H8	-1.487	-0.904	0.897
H9	-1.487	-0.904	-0.897
H10	0.099	1.057	-0.896
H11	0.099	1.057	0.896
H12	3.111	-1.922	-0.894
H13	3.111	-1.922	0.894
H14	2.464	0.524	0.894
H15	2.464	0.524	-0.894

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8071	1.5253	4.7381	3.6679	2.3583	5.7089	1.1002	1.1002	2.1739	2.1739	4.8489	4.8489	4.0112	4.0112
Cl2	1.8071		2.7409	6.3611	5.1010	3.9824	7.2446	2.3845	2.3845	2.9280	2.9280	6.5316	6.5316	5.2445	5.2445
C3	1.5253	2.7409		3.6816	2.3605	1.4177	4.5125	2.1755	2.1755	1.1122	1.1122	3.9871	3.9871	2.6240	2.6240
C4	4.7381	6.3611	3.6816		1.5210	2.3904	1.1030	4.8519	4.8519	4.0443	4.0443	1.1025	1.1025	2.1799	2.1799
C5	3.6679	5.1010	2.3605	1.5210		1.4264	2.1671	3.9720	3.9720	2.6521	2.6521	2.1698	2.1698	1.1132	1.1132
O6	2.3583	3.9824	1.4177	2.3904	1.4264		3.3528	2.6298	2.6298	2.0977	2.0977	2.6567	2.6567	2.0885	2.0885
H7	5.7089	7.2446	4.5125	1.1030	2.1671	3.3528		5.8644	5.8644	4.7425	4.7425	1.7899	1.7899	2.5169	2.5169
H8	1.1002	2.3845	2.1755	4.8519	3.9720	2.6298	5.8644		1.7935	3.0949	2.5224	5.0382	4.7094	4.2015	4.5674
H9	1.1002	2.3845	2.1755	4.8519	3.9720	2.6298	5.8644	1.7935		2.5224	3.0949	4.7094	5.0382	4.5674	4.2015
H10	2.1739	2.9280	1.1122	4.0443	2.6521	2.0977	4.7425	3.0949	2.5224		1.7929	4.2360	4.5987	3.0137	2.4239
H11	2.1739	2.9280	1.1122	4.0443	2.6521	2.0977	4.7425	2.5224	3.0949	1.7929		4.5987	4.2360	2.4239	3.0137
H12	4.8489	6.5316	3.9871	1.1025	2.1698	2.6567	1.7899	5.0382	4.7094	4.2360	4.5987		1.7872	3.0985	2.5306
H13	4.8489	6.5316	3.9871	1.1025	2.1698	2.6567	1.7899	4.7094	5.0382	4.5987	4.2360	1.7872		2.5306	3.0985
H14	4.0112	5.2445	2.6240	2.1799	1.1132	2.0885	2.5169	4.2015	4.5674	3.0137	2.4239	3.0985	2.5306		1.7888
H15	4.0112	5.2445	2.6240	2.1799	1.1132	2.0885	2.5169	4.5674	4.2015	2.4239	3.0137	2.5306	3.0985	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.458	C1	C3	H10	110.034
C1	C3	H11	110.034	Cl2	C1	C3	110.387
Cl2	C1	H8	107.710	Cl2	C1	H9	107.710
C3	C1	H8	110.871	C3	C1	H9	110.871
C3	O6	C5	112.190	C4	C5	O6	108.351
C4	C5	H14	110.742	C4	C5	H15	110.742
C5	C4	H7	110.337	C5	C4	H12	110.580
C5	C4	H13	110.580	O6	C3	H10	111.458
O6	C3	H11	111.458	O6	C5	H14	110.042
O6	C5	H15	110.042	H7	C4	H12	108.493
H7	C4	H13	108.493	H8	C1	H9	109.185
H10	C3	H11	107.419	H12	C4	H13	108.286
H14	C5	H15	106.926

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.425
2	Cl	-0.068
3	C	-0.044
4	C	-0.498
5	C	-0.056
6	O	-0.426
7	H	0.162
8	H	0.216
9	H	0.216
10	H	0.151
11	H	0.151
12	H	0.174
13	H	0.174
14	H	0.137
15	H	0.137

	x	y	z	Total
	2.088	-0.378	0.000	2.122
CHELPG
AIM
ESP

	x	y	z
x	11.222	-1.536	0.000
y	-1.536	8.144	0.000
z	0.000	0.000	7.058

<r²>	369.055
(<r²>)^1/2	19.211

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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