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	hartrees
Energy at 0K	-687.401422
Energy at 298.15K	-687.411586
Nuclear repulsion energy	288.050093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	3043	8.84
2	A'	3070	3019	3.75
3	A'	3006	2956	6.06
4	A'	2907	2860	35.10
5	A'	2894	2847	27.87
6	A'	1533	1508	6.13
7	A'	1514	1490	3.62
8	A'	1504	1479	13.66
9	A'	1475	1451	7.81
10	A'	1406	1383	10.97
11	A'	1395	1372	18.76
12	A'	1329	1307	22.11
13	A'	1233	1213	8.85
14	A'	1152	1133	138.25
15	A'	1124	1106	74.12
16	A'	1083	1065	3.29
17	A'	1026	1009	11.51
18	A'	880	866	9.70
19	A'	718	706	48.49
20	A'	458	451	1.70
21	A'	360	354	4.68
22	A'	256	252	5.22
23	A'	114	112	2.13
24	A"	3146	3094	1.16
25	A"	3092	3041	10.84
26	A"	2940	2891	24.31
27	A"	2922	2874	62.53
28	A"	1482	1457	12.02
29	A"	1281	1260	0.04
30	A"	1269	1248	0.00
31	A"	1181	1162	7.25
32	A"	1145	1127	2.94
33	A"	1010	994	1.19
34	A"	839	825	4.55
35	A"	815	802	3.12
36	A"	240	236	0.81
37	A"	144	141	6.56
38	A"	83	82	5.40
39	A"	54	53	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.340	-0.281	0.000
Cl2	-2.652	1.041	0.000
C3	0.000	0.402	0.000
C4	3.206	-1.377	0.000
C5	2.303	-0.169	0.000
O6	0.951	-0.670	0.000
H7	4.267	-1.077	0.000
H8	-1.485	-0.885	0.906
H9	-1.485	-0.885	-0.906
H10	0.096	1.052	-0.898
H11	0.096	1.052	0.898
H12	3.002	-1.989	-0.894
H13	3.002	-1.989	0.894
H14	2.486	0.467	0.897
H15	2.486	0.467	-0.897

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8629	1.5034	4.6755	3.6447	2.3235	5.6628	1.0983	1.0983	2.1551	2.1551	4.7506	4.7506	3.9995	3.9995
Cl2	1.8629		2.7283	6.3372	5.1012	3.9889	7.2362	2.4271	2.4271	2.8911	2.8911	6.4772	6.4772	5.2472	5.2472
C3	1.5034	2.7283		3.6659	2.3729	1.4328	4.5159	2.1635	2.1635	1.1133	1.1133	3.9406	3.9406	2.6433	2.6433
C4	4.6755	6.3372	3.6659		1.5077	2.3628	1.1026	4.8027	4.8027	4.0471	4.0471	1.1026	1.1026	2.1726	2.1726
C5	3.6447	5.1012	2.3729	1.5077		1.4422	2.1636	3.9605	3.9605	2.6780	2.6780	2.1451	2.1451	1.1140	1.1140
O6	2.3235	3.9889	1.4328	2.3628	1.4422		3.3408	2.6080	2.6080	2.1224	2.1224	2.5974	2.5974	2.1097	2.1097
H7	5.6628	7.2362	4.5159	1.1026	2.1636	3.3408		5.8261	5.8261	4.7688	4.7688	1.7972	1.7972	2.5220	2.5220
H8	1.0983	2.4271	2.1635	4.8027	3.9605	2.6080	5.8261		1.8119	3.0831	2.5001	4.9593	4.6212	4.1944	4.5653
H9	1.0983	2.4271	2.1635	4.8027	3.9605	2.6080	5.8261	1.8119		2.5001	3.0831	4.6212	4.9593	4.5653	4.1944
H10	2.1551	2.8911	1.1133	4.0471	2.6780	2.1224	4.7688	3.0831	2.5001		1.7965	4.2070	4.5728	3.0458	2.4607
H11	2.1551	2.8911	1.1133	4.0471	2.6780	2.1224	4.7688	2.5001	3.0831	1.7965		4.5728	4.2070	2.4607	3.0458
H12	4.7506	6.4772	3.9406	1.1026	2.1451	2.5974	1.7972	4.9593	4.6212	4.2070	4.5728		1.7878	3.0829	2.5096
H13	4.7506	6.4772	3.9406	1.1026	2.1451	2.5974	1.7972	4.6212	4.9593	4.5728	4.2070	1.7878		2.5096	3.0829
H14	3.9995	5.2472	2.6433	2.1726	1.1140	2.1097	2.5220	4.1944	4.5653	3.0458	2.4607	3.0829	2.5096		1.7934
H15	3.9995	5.2472	2.6433	2.1726	1.1140	2.1097	2.5220	4.5653	4.1944	2.4607	3.0458	2.5096	3.0829	1.7934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	104.592	C1	C3	H10	109.994
C1	C3	H11	109.994	Cl2	C1	C3	107.802
Cl2	C1	H8	107.258	Cl2	C1	H9	107.258
C3	C1	H8	111.565	C3	C1	H9	111.565
C3	O6	C5	111.255	C4	C5	O6	106.424
C4	C5	H14	111.038	C4	C5	H15	111.038
C5	C4	H7	111.010	C5	C4	H12	109.551
C5	C4	H13	109.551	O6	C3	H10	112.339
O6	C3	H11	112.339	O6	C5	H14	110.591
O6	C5	H15	110.591	H7	C4	H12	109.174
H7	C4	H13	109.174	H8	C1	H9	111.140
H10	C3	H11	107.577	H12	C4	H13	108.335
H14	C5	H15	107.206

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

using model chemistry: LSDA/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	-0.628
2	Cl	-0.021
3	C	-0.167
4	C	-0.652
5	C	-0.198
6	O	-0.431
7	H	0.217
8	H	0.287
9	H	0.287
10	H	0.217
11	H	0.217
12	H	0.234
13	H	0.234
14	H	0.202
15	H	0.202

	x	y	z	Total
	2.441	-0.538	0.000	2.500
CHELPG
AIM
ESP

	x	y	z
x	10.533	-1.829	0.000
y	-1.829	7.670	0.000
z	0.000	0.000	6.343

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G

States and conformations

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