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	hartrees
Energy at 0K	-690.998300
Energy at 298.15K	-691.008521
Nuclear repulsion energy	293.342414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3067	3034	9.57
2	A'	3010	2977	10.39
3	A'	2978	2946	10.64
4	A'	2877	2846	56.47
5	A'	2869	2838	27.40
6	A'	1457	1441	6.38
7	A'	1438	1422	3.92
8	A'	1423	1408	5.17
9	A'	1416	1401	3.08
10	A'	1383	1368	10.05
11	A'	1333	1319	25.78
12	A'	1312	1298	9.33
13	A'	1214	1201	0.47
14	A'	1188	1175	249.64
15	A'	1135	1122	13.24
16	A'	1080	1069	6.63
17	A'	1060	1048	21.49
18	A'	888	879	8.30
19	A'	783	775	31.69
20	A'	472	467	0.86
21	A'	376	371	2.70
22	A'	262	259	2.87
23	A'	118	117	1.20
24	A"	3072	3038	2.13
25	A"	3060	3027	11.98
26	A"	2909	2877	7.91
27	A"	2893	2862	74.29
28	A"	1402	1386	9.59
29	A"	1241	1227	1.58
30	A"	1235	1222	1.98
31	A"	1167	1155	6.03
32	A"	1130	1118	3.39
33	A"	1012	1001	1.99
34	A"	789	780	2.17
35	A"	776	767	0.46
36	A"	240	237	0.68
37	A"	147	145	5.58
38	A"	90	89	2.17
39	A"	52	51	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	-1.363	-0.243	0.000
Cl2	-2.591	1.033	0.000
C3	0.000	0.373	0.000
C4	3.176	-1.356	0.000
C5	2.244	-0.189	0.000
O6	0.927	-0.665	0.000
H7	4.222	-1.018	0.000
H8	-1.513	-0.861	0.894
H9	-1.513	-0.861	-0.894
H10	0.123	1.022	-0.893
H11	0.123	1.022	0.893
H12	3.012	-1.979	-0.890
H13	3.012	-1.979	0.890
H14	2.409	0.453	0.891
H15	2.409	0.453	-0.891

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7709	1.4955	4.6738	3.6075	2.3288	5.6380	1.0974	1.0974	2.1461	2.1461	4.7904	4.7904	3.9380	3.9380
Cl2	1.7709		2.6739	6.2426	4.9874	3.9066	7.1147	2.3555	2.3555	2.8572	2.8572	6.4234	6.4234	5.1120	5.1120
C3	1.4955	2.6739		3.6163	2.3135	1.3916	4.4448	2.1476	2.1476	1.1110	1.1110	3.9238	3.9238	2.5700	2.5700
C4	4.6738	6.2426	3.6163		1.4932	2.3529	1.0983	4.7998	4.7998	3.9719	3.9719	1.0987	1.0987	2.1578	2.1578
C5	3.6075	4.9874	2.3135	1.4932		1.4000	2.1440	3.9204	3.9204	2.6009	2.6009	2.1411	2.1411	1.1111	1.1111
O6	2.3288	3.9066	1.3916	2.3529	1.4000		3.3131	2.6067	2.6067	2.0713	2.0713	2.6203	2.6203	2.0592	2.0592
H7	5.6380	7.1147	4.4448	1.0983	2.1440	3.3131		5.8062	5.8062	4.6646	4.6646	1.7825	1.7825	2.4988	2.4988
H8	1.0974	2.3555	2.1476	4.7998	3.9204	2.6067	5.8062		1.7882	3.0689	2.4950	4.9913	4.6616	4.1369	4.5057
H9	1.0974	2.3555	2.1476	4.7998	3.9204	2.6067	5.8062	1.7882		2.4950	3.0689	4.6616	4.9913	4.5057	4.1369
H10	2.1461	2.8572	1.1110	3.9719	2.6009	2.0713	4.6646	3.0689	2.4950		1.7857	4.1659	4.5314	2.9551	2.3559
H11	2.1461	2.8572	1.1110	3.9719	2.6009	2.0713	4.6646	2.4950	3.0689	1.7857		4.5314	4.1659	2.3559	2.9551
H12	4.7904	6.4234	3.9238	1.0987	2.1411	2.6203	1.7825	4.9913	4.6616	4.1659	4.5314		1.7801	3.0744	2.5059
H13	4.7904	6.4234	3.9238	1.0987	2.1411	2.6203	1.7825	4.6616	4.9913	4.5314	4.1659	1.7801		2.5059	3.0744
H14	3.9380	5.1120	2.5700	2.1578	1.1111	2.0592	2.4988	4.1369	4.5057	2.9551	2.3559	3.0744	2.5059		1.7823
H15	3.9380	5.1120	2.5700	2.1578	1.1111	2.0592	2.4988	4.5057	4.1369	2.3559	2.9551	2.5059	3.0744	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.479	C1	C3	H10	109.975
C1	C3	H11	109.975	Cl2	C1	C3	109.601
Cl2	C1	H8	108.108	Cl2	C1	H9	108.108
C3	C1	H8	110.906	C3	C1	H9	110.906
C3	O6	C5	111.940	C4	C5	O6	108.780
C4	C5	H14	111.053	C4	C5	H15	111.053
C5	C4	H7	110.719	C5	C4	H12	110.467
C5	C4	H13	110.467	O6	C3	H10	111.231
O6	C3	H11	111.231	O6	C5	H14	109.639
O6	C5	H15	109.639	H7	C4	H12	108.452
H7	C4	H13	108.452	H8	C1	H9	109.124
H10	C3	H11	106.966	H12	C4	H13	108.206
H14	C5	H15	106.652

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

using model chemistry: LSDA/cc-pVTZ

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	-0.200
2	Cl	-0.128
3	C	-0.032
4	C	-0.340
5	C	-0.034
6	O	-0.229
7	H	0.111
8	H	0.149
9	H	0.149
10	H	0.083
11	H	0.083
12	H	0.122
13	H	0.122
14	H	0.073
15	H	0.073

	x	y	z	Total
	1.882	-0.388	0.000	1.922
CHELPG
AIM
ESP

	x	y	z
x	12.669	-1.598	0.000
y	-1.598	9.793	0.000
z	0.000	0.000	8.364

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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