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	hartrees
Energy at 0K	-691.078836
Energy at 298.15K	-691.089505
Nuclear repulsion energy	291.858009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	2949	19.94
2	A'	3247	2940	39.38
3	A'	3177	2877	21.75
4	A'	3150	2852	54.16
5	A'	3126	2830	29.68
6	A'	1663	1506	1.47
7	A'	1644	1489	5.37
8	A'	1621	1467	6.64
9	A'	1617	1464	2.59
10	A'	1588	1438	10.73
11	A'	1541	1395	35.34
12	A'	1515	1371	22.60
13	A'	1393	1261	36.22
14	A'	1290	1168	292.81
15	A'	1254	1136	29.17
16	A'	1145	1037	1.61
17	A'	1125	1019	12.21
18	A'	974	882	13.55
19	A'	811	735	69.02
20	A'	511	463	0.64
21	A'	404	365	2.68
22	A'	283	256	3.24
23	A'	132	119	1.38
24	A"	3324	3010	9.37
25	A"	3255	2947	42.85
26	A"	3185	2884	50.48
27	A"	3157	2858	49.22
28	A"	1601	1450	3.64
29	A"	1418	1284	4.55
30	A"	1409	1276	0.07
31	A"	1327	1202	7.05
32	A"	1285	1164	2.98
33	A"	1151	1042	1.84
34	A"	879	796	0.11
35	A"	854	774	0.07
36	A"	272	246	1.28
37	A"	169	153	9.30
38	A"	93	84	1.81
39	A"	66	59	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-1.342	-0.289	0.000
Cl2	-2.675	0.908	0.000
C3	0.000	0.417	0.000
C4	3.234	-1.280	0.000
C5	2.288	-0.097	0.000
O6	0.975	-0.571	0.000
H7	4.265	-0.939	0.000
H8	-1.458	-0.900	0.881
H9	-1.458	-0.900	-0.881
H10	0.084	1.054	-0.880
H11	0.084	1.054	0.880
H12	3.073	-1.894	-0.880
H13	3.073	-1.894	0.880
H14	2.459	0.527	0.878
H15	2.459	0.527	-0.878

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7914	1.5161	4.6823	3.6352	2.3336	5.6442	1.0788	1.0788	2.1470	2.1470	4.7795	4.7795	3.9855	3.9855
Cl2	1.7914		2.7192	6.3012	5.0636	3.9378	7.1811	2.3505	2.3505	2.8993	2.8993	6.4549	6.4549	5.2223	5.2223
C3	1.5161	2.7192		3.6528	2.3453	1.3883	4.4753	2.1536	2.1536	1.0891	1.0891	3.9449	3.9449	2.6137	2.6137
C4	4.6823	6.3012	3.6528		1.5154	2.3683	1.0857	4.7899	4.7899	4.0181	4.0181	1.0847	1.0847	2.1539	2.1539
C5	3.6352	5.0636	2.3453	1.5154		1.3968	2.1485	3.9319	3.9319	2.6373	2.6373	2.1499	2.1499	1.0907	1.0907
O6	2.3336	3.9378	1.3883	2.3683	1.3968		3.3106	2.6086	2.6086	2.0513	2.0513	2.6321	2.6321	2.0449	2.0449
H7	5.6442	7.1811	4.4753	1.0857	2.1485	3.3106		5.7909	5.7909	4.7141	4.7141	1.7626	1.7626	2.4861	2.4861
H8	1.0788	2.3505	2.1536	4.7899	3.9319	2.6086	5.7909		1.7628	3.0491	2.4891	4.9625	4.6395	4.1694	4.5255
H9	1.0788	2.3505	2.1536	4.7899	3.9319	2.6086	5.7909	1.7628		2.4891	3.0491	4.6395	4.9625	4.5255	4.1694
H10	2.1470	2.8993	1.0891	4.0181	2.6373	2.0513	4.7141	3.0491	2.4891		1.7594	4.1983	4.5520	3.0014	2.4327
H11	2.1470	2.8993	1.0891	4.0181	2.6373	2.0513	4.7141	2.4891	3.0491	1.7594		4.5520	4.1983	2.4327	3.0014
H12	4.7795	6.4549	3.9449	1.0847	2.1499	2.6321	1.7626	4.9625	4.6395	4.1983	4.5520		1.7592	3.0547	2.4982
H13	4.7795	6.4549	3.9449	1.0847	2.1499	2.6321	1.7626	4.6395	4.9625	4.5520	4.1983	1.7592		2.4982	3.0547
H14	3.9855	5.2223	2.6137	2.1539	1.0907	2.0449	2.4861	4.1694	4.5255	3.0014	2.4327	3.0547	2.4982		1.7565
H15	3.9855	5.2223	2.6137	2.1539	1.0907	2.0449	2.4861	4.5255	4.1694	2.4327	3.0014	2.4982	3.0547	1.7565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.847	C1	C3	H10	109.913
C1	C3	H11	109.913	Cl2	C1	C3	110.322
Cl2	C1	H8	107.339	Cl2	C1	H9	107.339
C3	C1	H8	111.063	C3	C1	H9	111.063
C3	O6	C5	114.728	C4	C5	O6	108.759
C4	C5	H14	110.422	C4	C5	H15	110.422
C5	C4	H7	110.292	C5	C4	H12	110.455
C5	C4	H13	110.455	O6	C3	H10	111.214
O6	C3	H11	111.214	O6	C5	H14	109.983
O6	C5	H15	109.983	H7	C4	H12	108.605
H7	C4	H13	108.605	H8	C1	H9	109.573
H10	C3	H11	107.750	H12	C4	H13	108.369
H14	C5	H15	107.266

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

using model chemistry: HF/6-31G(2df,p)

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	-0.195
3	C	0.011
4	C	-0.413
5	C	0.006
6	O	-0.459
7	H	0.135
8	H	0.183
9	H	0.183
10	H	0.127
11	H	0.127
12	H	0.145
13	H	0.145
14	H	0.111
15	H	0.111

	x	y	z	Total
	2.264	-0.304	0.000	2.284
CHELPG
AIM
ESP

	x	y	z
x	10.555	-1.293	0.000
y	-1.293	8.035	0.000
z	0.000	0.000	7.169

<r²>	362.891
(<r²>)^1/2	19.050

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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