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	hartrees
Energy at 0K	-685.293938
Energy at 298.15K	-685.303876
Nuclear repulsion energy	284.692595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3516	3104	0.15
2	A'	3372	2977	0.19
3	A'	3342	2951	0.24
4	A'	3272	2889	7.48
5	A'	3264	2882	12.94
6	A'	1691	1493	3.19
7	A'	1674	1478	0.01
8	A'	1668	1473	7.30
9	A'	1623	1433	1.77
10	A'	1567	1383	4.95
11	A'	1521	1343	5.36
12	A'	1468	1296	31.35
13	A'	1354	1196	37.98
14	A'	1252	1106	20.31
15	A'	1213	1071	17.87
16	A'	1128	996	1.73
17	A'	1118	987	1.60
18	A'	977	863	2.75
19	A'	871	769	27.04
20	A'	486	429	0.35
21	A'	383	338	1.85
22	A'	262	231	3.13
23	A'	122	108	1.81
24	A"	3519	3107	0.38
25	A"	3495	3086	0.07
26	A"	3373	2978	3.07
27	A"	3363	2969	18.07
28	A"	1668	1473	3.51
29	A"	1369	1209	0.02
30	A"	1363	1204	0.06
31	A"	1242	1097	9.22
32	A"	1222	1079	3.27
33	A"	1103	974	0.00
34	A"	876	773	2.16
35	A"	831	734	0.78
36	A"	213	188	0.61
37	A"	138	122	4.96
38	A"	104	91	3.50
39	A"	49	43	1.46

Atom	x (Å)	y (Å)	z (Å)
C1	-1.400	-0.299	0.000
Cl2	-2.712	0.979	0.000
C3	0.000	0.368	0.000
C4	3.350	-1.236	0.000
C5	2.301	-0.102	0.000
O6	0.973	-0.722	0.000
H7	4.362	-0.808	0.000
H8	-1.545	-0.919	0.901
H9	-1.545	-0.919	-0.901
H10	0.100	1.018	-0.897
H11	0.100	1.018	0.897
H12	3.234	-1.865	-0.892
H13	3.234	-1.865	0.892
H14	2.439	0.544	0.895
H15	2.439	0.544	-0.895

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8317	1.5510	4.8419	3.7060	2.4109	5.7841	1.1030	1.1030	2.1886	2.1886	4.9724	4.9724	4.0311	4.0311
Cl2	1.8317		2.7803	6.4545	5.1284	4.0592	7.2960	2.4036	2.4036	2.9521	2.9521	6.6518	6.6518	5.2466	5.2466
C3	1.5510	2.7803		3.7144	2.3483	1.4614	4.5173	2.2035	2.2035	1.1122	1.1122	4.0303	4.0303	2.6039	2.6039
C4	4.8419	6.4545	3.7144		1.5446	2.4318	1.0980	4.9874	4.9874	4.0558	4.0558	1.0976	1.0976	2.1903	2.1903
C5	3.7060	5.1284	2.3483	1.5446		1.4647	2.1782	4.0332	4.0332	2.6276	2.6276	2.1849	2.1849	1.1125	1.1125
O6	2.4109	4.0592	1.4614	2.4318	1.4647		3.3892	2.6818	2.6818	2.1437	2.1437	2.6858	2.6858	2.1332	2.1332
H7	5.7841	7.2960	4.5173	1.0980	2.1782	3.3892		5.9757	5.9757	4.7223	4.7223	1.7844	1.7844	2.5146	2.5146
H8	1.1030	2.4036	2.2035	4.9874	4.0332	2.6818	5.9757		1.8011	3.1130	2.5416	5.1909	4.8718	4.2441	4.6082
H9	1.1030	2.4036	2.2035	4.9874	4.0332	2.6818	5.9757	1.8011		2.5416	3.1130	4.8718	5.1909	4.6082	4.2441
H10	2.1886	2.9521	1.1122	4.0558	2.6276	2.1437	4.7223	3.1130	2.5416		1.7939	4.2590	4.6193	2.9846	2.3868
H11	2.1886	2.9521	1.1122	4.0558	2.6276	2.1437	4.7223	2.5416	3.1130	1.7939		4.6193	4.2590	2.3868	2.9846
H12	4.9724	6.6518	4.0303	1.0976	2.1849	2.6858	1.7844	5.1909	4.8718	4.2590	4.6193		1.7830	3.1027	2.5369
H13	4.9724	6.6518	4.0303	1.0976	2.1849	2.6858	1.7844	4.8718	5.1909	4.6193	4.2590	1.7830		2.5369	3.1027
H14	4.0311	5.2466	2.6039	2.1903	1.1125	2.1332	2.5146	4.2441	4.6082	2.9846	2.3868	3.1027	2.5369		1.7899
H15	4.0311	5.2466	2.6039	2.1903	1.1125	2.1332	2.5146	4.6082	4.2441	2.3868	2.9846	2.5369	3.1027	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.285	C1	C3	H10	109.420
C1	C3	H11	109.420	Cl2	C1	C3	110.277
Cl2	C1	H8	107.356	Cl2	C1	H9	107.356
C3	C1	H8	111.125	C3	C1	H9	111.125
C3	O6	C5	106.751	C4	C5	O6	107.794
C4	C5	H14	109.975	C4	C5	H15	109.975
C5	C4	H7	109.874	C5	C4	H12	110.425
C5	C4	H13	110.425	O6	C3	H10	112.095
O6	C3	H11	112.095	O6	C5	H14	110.994
O6	C5	H15	110.994	H7	C4	H12	108.725
H7	C4	H13	108.725	H8	C1	H9	109.456
H10	C3	H11	107.497	H12	C4	H13	108.621
H14	C5	H15	107.122

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

using model chemistry: B1B95/STO-3G

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	-0.105
2	Cl	-0.166
3	C	-0.044
4	C	-0.232
5	C	-0.044
6	O	-0.196
7	H	0.083
8	H	0.115
9	H	0.115
10	H	0.082
11	H	0.082
12	H	0.085
13	H	0.085
14	H	0.070
15	H	0.070

	x	y	z	Total
	2.254	-0.468	0.000	2.302
CHELPG
AIM
ESP

	x	y	z
x	6.132	-1.208	0.000
y	-1.208	4.113	0.000
z	0.000	0.000	3.205

<r²>	376.358
(<r²>)^1/2	19.400

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

using model chemistry: B1B95/STO-3G

States and conformations

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