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	hartrees
Energy at 0K	-689.898104
Energy at 298.15K	-689.908329
Nuclear repulsion energy	286.443728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3017	21.85
2	A'	3131	3012	9.43
3	A'	3068	2952	12.79
4	A'	3014	2900	36.43
5	A'	2996	2882	29.80
6	A'	1596	1536	1.65
7	A'	1581	1521	5.19
8	A'	1569	1510	9.06
9	A'	1545	1487	4.53
10	A'	1461	1406	12.11
11	A'	1458	1402	3.41
12	A'	1388	1335	35.39
13	A'	1305	1256	23.51
14	A'	1157	1113	35.84
15	A'	1096	1054	159.05
16	A'	1052	1012	7.39
17	A'	999	961	5.22
18	A'	878	844	14.45
19	A'	718	691	53.21
20	A'	463	446	1.14
21	A'	359	345	3.49
22	A'	261	251	4.36
23	A'	118	114	1.53
24	A"	3195	3073	5.32
25	A"	3143	3024	24.13
26	A"	3049	2933	41.49
27	A"	3025	2910	49.78
28	A"	1552	1493	6.94
29	A"	1334	1283	0.02
30	A"	1321	1271	0.00
31	A"	1217	1171	4.64
32	A"	1184	1139	3.81
33	A"	1073	1033	2.00
34	A"	865	832	1.97
35	A"	838	806	1.38
36	A"	242	233	1.10
37	A"	141	136	8.58
38	A"	87	84	4.00
39	A"	57	55	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.352	-0.254	0.000
Cl2	-2.703	0.975	0.000
C3	0.000	0.459	0.000
C4	3.240	-1.385	0.000
C5	2.354	-0.140	0.000
O6	0.973	-0.622	0.000
H7	4.299	-1.106	0.000
H8	-1.459	-0.867	0.893
H9	-1.459	-0.867	-0.893
H10	0.093	1.094	-0.892
H11	0.093	1.094	0.892
H12	3.027	-1.987	-0.888
H13	3.027	-1.987	0.888
H14	2.546	0.477	0.890
H15	2.546	0.477	-0.890

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8264	1.5281	4.7295	3.7074	2.3535	5.7142	1.0888	1.0888	2.1680	2.1680	4.7923	4.7923	4.0648	4.0648
Cl2	1.8264		2.7519	6.3950	5.1786	4.0078	7.3044	2.3950	2.3950	2.9379	2.9379	6.5112	6.5112	5.3478	5.3478
C3	1.5281	2.7519		3.7286	2.4291	1.4543	4.5746	2.1647	2.1647	1.0989	1.0989	3.9919	3.9919	2.6977	2.6977
C4	4.7295	6.3950	3.7286		1.5286	2.3927	1.0945	4.8121	4.8121	4.1044	4.1044	1.0935	1.0935	2.1781	2.1781
C5	3.7074	5.1786	2.4291	1.5286		1.4628	2.1712	3.9836	3.9836	2.7256	2.7256	2.1571	2.1571	1.1004	1.1004
O6	2.3535	4.0078	1.4543	2.3927	1.4628		3.3608	2.6027	2.6027	2.1244	2.1244	2.6214	2.6214	2.1160	2.1160
H7	5.7142	7.3044	4.5746	1.0945	2.1712	3.3608		5.8319	5.8319	4.8289	4.8289	1.7838	1.7838	2.5237	2.5237
H8	1.0888	2.3950	2.1647	4.8121	3.9836	2.6027	5.8319		1.7866	3.0731	2.5012	4.9554	4.6243	4.2254	4.5865
H9	1.0888	2.3950	2.1647	4.8121	3.9836	2.6027	5.8319	1.7866		2.5012	3.0731	4.6243	4.9554	4.5865	4.2254
H10	2.1680	2.9379	1.0989	4.1044	2.7256	2.1244	4.8289	3.0731	2.5012		1.7843	4.2543	4.6116	3.0943	2.5293
H11	2.1680	2.9379	1.0989	4.1044	2.7256	2.1244	4.8289	2.5012	3.0731	1.7843		4.6116	4.2543	2.5293	3.0943
H12	4.7923	6.5112	3.9919	1.0935	2.1571	2.6214	1.7838	4.9554	4.6243	4.2543	4.6116		1.7754	3.0768	2.5110
H13	4.7923	6.5112	3.9919	1.0935	2.1571	2.6214	1.7838	4.6243	4.9554	4.6116	4.2543	1.7754		2.5110	3.0768
H14	4.0648	5.3478	2.6977	2.1781	1.1004	2.1160	2.5237	4.2254	4.5865	3.0943	2.5293	3.0768	2.5110		1.7807
H15	4.0648	5.3478	2.6977	2.1781	1.1004	2.1160	2.5237	4.5865	4.2254	2.5293	3.0943	2.5110	3.0768	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	104.183	C1	C3	H10	110.162
C1	C3	H11	110.162	Cl2	C1	C3	109.926
Cl2	C1	H8	107.785	Cl2	C1	H9	107.785
C3	C1	H8	110.503	C3	C1	H9	110.503
C3	O6	C5	112.755	C4	C5	O6	106.211
C4	C5	H14	110.835	C4	C5	H15	110.835
C5	C4	H7	110.643	C5	C4	H12	109.586
C5	C4	H13	109.586	O6	C3	H10	111.870
O6	C3	H11	111.870	O6	C5	H14	110.485
O6	C5	H15	110.485	H7	C4	H12	109.222
H7	C4	H13	109.222	H8	C1	H9	110.260
H10	C3	H11	108.549	H12	C4	H13	108.546
H14	C5	H15	108.012

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

using model chemistry: B3LYP/3-21G*

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	-0.482
2	Cl	-0.080
3	C	-0.109
4	C	-0.572
5	C	-0.125
6	O	-0.490
7	H	0.188
8	H	0.254
9	H	0.254
10	H	0.195
11	H	0.195
12	H	0.207
13	H	0.207
14	H	0.180
15	H	0.180

	x	y	z	Total
	2.337	-0.174	0.000	2.343
CHELPG
AIM
ESP

	x	y	z
x	10.569	-1.646	0.000
y	-1.646	7.518	0.000
z	0.000	0.000	6.417

<r²>	373.822
(<r²>)^1/2	19.334

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

using model chemistry: B3LYP/3-21G*

States and conformations

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