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	hartrees
Energy at 0K	-58.802811
Energy at 298.15K	-58.813038
Nuclear repulsion energy	137.009514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3036	37.53
2	A'	3135	3001	23.13
3	A'	3087	2954	21.05
4	A'	3025	2895	71.34
5	A'	3009	2880	47.86
6	A'	1528	1462	3.09
7	A'	1509	1444	4.66
8	A'	1491	1427	4.90
9	A'	1485	1421	3.28
10	A'	1448	1386	12.07
11	A'	1404	1344	31.28
12	A'	1372	1314	13.78
13	A'	1274	1219	20.62
14	A'	1196	1145	235.12
15	A'	1152	1103	19.74
16	A'	1085	1038	6.15
17	A'	1065	1020	14.23
18	A'	905	866	7.43
19	A'	782	749	41.38
20	A'	466	446	0.77
21	A'	371	355	2.96
22	A'	257	246	3.43
23	A'	118	113	1.60
24	A"	3207	3069	17.11
25	A"	3177	3041	38.53
26	A"	3068	2937	39.80
27	A"	3048	2918	81.96
28	A"	1476	1412	6.98
29	A"	1292	1236	2.63
30	A"	1285	1230	0.15
31	A"	1208	1156	3.45
32	A"	1163	1113	5.08
33	A"	1046	1001	2.22
34	A"	803	768	3.17
35	A"	784	751	0.54
36	A"	249	238	1.12
37	A"	153	147	9.05
38	A"	86	83	1.95
39	A"	56	53	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	-1.372	-0.288	0.000
Cl2	-2.678	0.958	0.000
C3	0.000	0.397	0.000
C4	3.271	-1.292	0.000
C5	2.291	-0.115	0.000
O6	0.968	-0.633	0.000
H7	4.310	-0.925	0.000
H8	-1.500	-0.908	0.897
H9	-1.500	-0.908	-0.897
H10	0.099	1.042	-0.896
H11	0.099	1.042	0.896
H12	3.118	-1.917	-0.893
H13	3.118	-1.917	0.893
H14	2.448	0.523	0.894
H15	2.448	0.523	-0.894

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8047	1.5335	4.7499	3.6671	2.3648	5.7174	1.0975	1.0975	2.1764	2.1764	4.8590	4.8590	4.0063	4.0063
Cl2	1.8047		2.7357	6.3594	5.0831	3.9770	7.2366	2.3816	2.3816	2.9187	2.9187	6.5306	6.5306	5.2211	5.2211
C3	1.5335	2.7357		3.6808	2.3475	1.4129	4.5079	2.1810	2.1810	1.1085	1.1085	3.9840	3.9840	2.6092	2.6092
C4	4.7499	6.3594	3.6808		1.5309	2.3955	1.1021	4.8694	4.8694	4.0384	4.0384	1.1010	1.1010	2.1839	2.1839
C5	3.6671	5.0831	2.3475	1.5309		1.4210	2.1751	3.9755	3.9755	2.6357	2.6357	2.1743	2.1743	1.1095	1.1095
O6	2.3648	3.9770	1.4129	2.3955	1.4210		3.3550	2.6398	2.6398	2.0886	2.0886	2.6591	2.6591	2.0802	2.0802
H7	5.7174	7.2366	4.5079	1.1021	2.1751	3.3550		5.8787	5.8787	4.7331	4.7331	1.7898	1.7898	2.5222	2.5222
H8	1.0975	2.3816	2.1810	4.8694	3.9755	2.6398	5.8787		1.7932	3.0941	2.5221	5.0543	4.7268	4.1997	4.5653
H9	1.0975	2.3816	2.1810	4.8694	3.9755	2.6398	5.8787	1.7932		2.5221	3.0941	4.7268	5.0543	4.5653	4.1997
H10	2.1764	2.9187	1.1085	4.0384	2.6357	2.0886	4.7331	3.0941	2.5221		1.7914	4.2272	4.5902	2.9982	2.4057
H11	2.1764	2.9187	1.1085	4.0384	2.6357	2.0886	4.7331	2.5221	3.0941	1.7914		4.5902	4.2272	2.4057	2.9982
H12	4.8590	6.5306	3.9840	1.1010	2.1743	2.6591	1.7898	5.0543	4.7268	4.2272	4.5902		1.7865	3.0977	2.5304
H13	4.8590	6.5306	3.9840	1.1010	2.1743	2.6591	1.7898	4.7268	5.0543	4.5902	4.2272	1.7865		2.5304	3.0977
H14	4.0063	5.2211	2.6092	2.1839	1.1095	2.0802	2.5222	4.1997	4.5653	2.9982	2.4057	3.0977	2.5304		1.7873
H15	4.0063	5.2211	2.6092	2.1839	1.1095	2.0802	2.5222	4.5653	4.1997	2.4057	2.9982	2.5304	3.0977	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.691	C1	C3	H10	109.882
C1	C3	H11	109.882	Cl2	C1	C3	109.805
Cl2	C1	H8	107.793	Cl2	C1	H9	107.793
C3	C1	H8	110.895	C3	C1	H9	110.895
C3	O6	C5	111.865	C4	C5	O6	108.430
C4	C5	H14	110.587	C4	C5	H15	110.587
C5	C4	H7	110.338	C5	C4	H12	110.337
C5	C4	H13	110.337	O6	C3	H10	111.292
O6	C3	H11	111.292	O6	C5	H14	109.969
O6	C5	H15	109.969	H7	C4	H12	108.663
H7	C4	H13	108.663	H8	C1	H9	109.557
H10	C3	H11	107.808	H12	C4	H13	108.448
H14	C5	H15	107.300

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

using model chemistry: B1B95/CEP-31G*

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	-0.161
2	Cl	-0.150
3	C	-0.260
4	C	-0.262
5	C	-0.279
6	O	-0.197
7	H	0.137
8	H	0.187
9	H	0.187
10	H	0.135
11	H	0.135
12	H	0.144
13	H	0.144
14	H	0.119
15	H	0.119

	x	y	z	Total
	2.170	-0.077	0.000	2.171
CHELPG
AIM
ESP

	x	y	z
x	10.607	-1.682	0.000
y	-1.682	7.895	0.000
z	0.000	0.000	6.335

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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