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	hartrees
Energy at 0K	-693.263410
Energy at 298.15K	-693.273721
Nuclear repulsion energy	291.300107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3015	25.15
2	A'	3114	2990	15.99
3	A'	3059	2937	17.35
4	A'	2991	2872	56.39
5	A'	2977	2858	34.55
6	A'	1532	1471	3.24
7	A'	1514	1453	4.01
8	A'	1498	1438	4.09
9	A'	1489	1429	3.24
10	A'	1449	1391	10.66
11	A'	1403	1347	22.39
12	A'	1381	1326	14.68
13	A'	1287	1236	20.80
14	A'	1182	1134	244.12
15	A'	1158	1112	31.97
16	A'	1087	1044	2.77
17	A'	1059	1017	17.48
18	A'	909	872	13.26
19	A'	772	741	48.85
20	A'	474	455	0.66
21	A'	373	358	2.50
22	A'	263	252	3.30
23	A'	119	114	1.54
24	A"	3180	3053	7.82
25	A"	3141	3016	27.40
26	A"	3028	2907	32.14
27	A"	3008	2888	67.59
28	A"	1477	1418	7.48
29	A"	1300	1248	4.76
30	A"	1298	1246	0.01
31	A"	1219	1171	4.31
32	A"	1177	1130	4.65
33	A"	1064	1022	4.05
34	A"	822	790	0.95
35	A"	804	772	0.41
36	A"	252	242	0.98
37	A"	149	143	7.68
38	A"	83	80	2.05
39	A"	56	54	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	-1.352	-0.270	0.000
Cl2	-2.656	0.957	0.000
C3	0.000	0.404	0.000
C4	3.227	-1.306	0.000
C5	2.283	-0.130	0.000
O6	0.959	-0.621	0.000
H7	4.263	-0.965	0.000
H8	-1.479	-0.883	0.888
H9	-1.479	-0.883	-0.888
H10	0.102	1.043	-0.887
H11	0.102	1.043	0.887
H12	3.065	-1.923	-0.884
H13	3.065	-1.923	0.884
H14	2.446	0.501	0.885
H15	2.446	0.501	-0.885

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7905	1.5107	4.6949	3.6376	2.3372	5.6581	1.0868	1.0868	2.1507	2.1507	4.7983	4.7983	3.9754	3.9754
Cl2	1.7905		2.7128	6.3032	5.0568	3.9438	7.1810	2.3580	2.3580	2.8980	2.8980	6.4656	6.4656	5.1980	5.1980
C3	1.5107	2.7128		3.6521	2.3443	1.4031	4.4775	2.1526	2.1526	1.0985	1.0985	3.9485	3.9485	2.6031	2.6031
C4	4.6949	6.3032	3.6521		1.5085	2.3697	1.0909	4.8081	4.8081	4.0092	4.0092	1.0903	1.0903	2.1588	2.1588
C5	3.6376	5.0568	2.3443	1.5085		1.4123	2.1493	3.9384	3.9384	2.6306	2.6306	2.1472	2.1472	1.0993	1.0993
O6	2.3372	3.9438	1.4031	2.3697	1.4123		3.3224	2.6080	2.6080	2.0713	2.0713	2.6295	2.6295	2.0627	2.0627
H7	5.6581	7.1810	4.4775	1.0909	2.1493	3.3224		5.8114	5.8114	4.7050	4.7050	1.7710	1.7710	2.4972	2.4972
H8	1.0868	2.3580	2.1526	4.8081	3.9384	2.6080	5.8114		1.7764	3.0600	2.4922	4.9872	4.6617	4.1623	4.5244
H9	1.0868	2.3580	2.1526	4.8081	3.9384	2.6080	5.8114	1.7764		2.4922	3.0600	4.6617	4.9872	4.5244	4.1623
H10	2.1507	2.8980	1.0985	4.0092	2.6306	2.0713	4.7050	3.0600	2.4922		1.7747	4.1929	4.5517	2.9886	2.4060
H11	2.1507	2.8980	1.0985	4.0092	2.6306	2.0713	4.7050	2.4922	3.0600	1.7747		4.5517	4.1929	2.4060	2.9886
H12	4.7983	6.4656	3.9485	1.0903	2.1472	2.6295	1.7710	4.9872	4.6617	4.1929	4.5517		1.7678	3.0647	2.5024
H13	4.7983	6.4656	3.9485	1.0903	2.1472	2.6295	1.7710	4.6617	4.9872	4.5517	4.1929	1.7678		2.5024	3.0647
H14	3.9754	5.1980	2.6031	2.1588	1.0993	2.0627	2.4972	4.1623	4.5244	2.9886	2.4060	3.0647	2.5024		1.7708
H15	3.9754	5.1980	2.6031	2.1588	1.0993	2.0627	2.4972	4.5244	4.1623	2.4060	2.9886	2.5024	3.0647	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.609	C1	C3	H10	110.033
C1	C3	H11	110.033	Cl2	C1	C3	110.239
Cl2	C1	H8	107.548	Cl2	C1	H9	107.548
C3	C1	H8	110.883	C3	C1	H9	110.883
C3	O6	C5	112.752	C4	C5	O6	108.405
C4	C5	H14	110.776	C4	C5	H15	110.776
C5	C4	H7	110.522	C5	C4	H12	110.391
C5	C4	H13	110.391	O6	C3	H10	111.207
O6	C3	H11	111.207	O6	C5	H14	109.794
O6	C5	H15	109.794	H7	C4	H12	108.570
H7	C4	H13	108.570	H8	C1	H9	109.624
H10	C3	H11	107.767	H12	C4	H13	108.333
H14	C5	H15	107.293

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

using model chemistry: B1B95/6-311G**

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	-0.345
2	Cl	-0.106
3	C	-0.020
4	C	-0.352
5	C	-0.054
6	O	-0.362
7	H	0.121
8	H	0.191
9	H	0.191
10	H	0.127
11	H	0.127
12	H	0.132
13	H	0.132
14	H	0.109
15	H	0.109

	x	y	z	Total
	2.180	-0.284	0.000	2.198
CHELPG
AIM
ESP

	x	y	z
x	11.485	-1.620	0.000
y	-1.620	8.611	0.000
z	0.000	0.000	7.225

<r²>	363.180
(<r²>)^1/2	19.057

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

using model chemistry: B1B95/6-311G**

States and conformations

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