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	hartrees
Energy at 0K	-58.721797
Energy at 298.15K	-58.731906
Nuclear repulsion energy	135.204610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3042	49.83
2	A'	3153	3019	21.38
3	A'	3081	2951	26.76
4	A'	3037	2908	66.83
5	A'	3018	2890	59.99
6	A'	1536	1470	5.37
7	A'	1522	1457	3.18
8	A'	1507	1443	9.03
9	A'	1492	1429	5.82
10	A'	1445	1384	13.80
11	A'	1420	1360	11.38
12	A'	1382	1324	18.25
13	A'	1290	1235	17.92
14	A'	1157	1108	89.88
15	A'	1138	1090	99.38
16	A'	1102	1055	6.44
17	A'	1040	996	15.81
18	A'	884	847	11.76
19	A'	728	697	48.43
20	A'	454	434	1.30
21	A'	356	341	4.49
22	A'	250	239	5.17
23	A'	113	108	2.30
24	A"	3242	3104	19.17
25	A"	3187	3052	52.56
26	A"	3095	2963	53.29
27	A"	3070	2940	82.06
28	A"	1487	1424	9.82
29	A"	1285	1230	0.71
30	A"	1282	1227	0.23
31	A"	1196	1145	7.63
32	A"	1164	1115	4.69
33	A"	1044	1000	1.81
34	A"	826	791	6.05
35	A"	811	777	1.20
36	A"	232	222	1.44
37	A"	138	132	13.69
38	A"	72	69	3.99
39	A"	54	52	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-1.362	-0.278	0.000
Cl2	-2.726	1.006	0.000
C3	0.000	0.428	0.000
C4	3.280	-1.377	0.000
C5	2.358	-0.152	0.000
O6	0.984	-0.636	0.000
H7	4.338	-1.066	0.000
H8	-1.499	-0.887	0.901
H9	-1.499	-0.887	-0.901
H10	0.108	1.067	-0.898
H11	0.108	1.067	0.898
H12	3.093	-1.994	-0.892
H13	3.093	-1.994	0.892
H14	2.531	0.477	0.896
H15	2.531	0.477	-0.896

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8728	1.5340	4.7701	3.7222	2.3727	5.7535	1.0957	1.0957	2.1847	2.1847	4.8566	4.8566	4.0647	4.0647
Cl2	1.8728		2.7860	6.4610	5.2140	4.0562	7.3606	2.4283	2.4283	2.9728	2.9728	6.6068	6.6068	5.3580	5.3580
C3	1.5340	2.7860		3.7442	2.4287	1.4492	4.5878	2.1879	2.1879	1.1067	1.1067	4.0289	4.0289	2.6850	2.6850
C4	4.7701	6.4610	3.7442		1.5334	2.4129	1.1025	4.8876	4.8876	4.1038	4.1038	1.1005	1.1005	2.1916	2.1916
C5	3.7222	5.2140	2.4287	1.5334		1.4571	2.1801	4.0285	4.0285	2.7121	2.7121	2.1747	2.1747	1.1082	1.1082
O6	2.3727	4.0562	1.4492	2.4129	1.4571		3.3812	2.6529	2.6529	2.1144	2.1144	2.6628	2.6628	2.1054	2.1054
H7	5.7535	7.3606	4.5878	1.1025	2.1801	3.3812		5.9082	5.9082	4.8212	4.8212	1.7905	1.7905	2.5394	2.5394
H8	1.0957	2.4283	2.1879	4.8876	4.0285	2.6529	5.9082		1.8013	3.1033	2.5292	5.0524	4.7236	4.2538	4.6177
H9	1.0957	2.4283	2.1879	4.8876	4.0285	2.6529	5.9082	1.8013		2.5292	3.1033	4.7236	5.0524	4.6177	4.2538
H10	2.1847	2.9728	1.1067	4.1038	2.7121	2.1144	4.8212	3.1033	2.5292		1.7954	4.2754	4.6350	3.0716	2.4934
H11	2.1847	2.9728	1.1067	4.1038	2.7121	2.1144	4.8212	2.5292	3.1033	1.7954		4.6350	4.2754	2.4934	3.0716
H12	4.8566	6.6068	4.0289	1.1005	2.1747	2.6628	1.7905	5.0524	4.7236	4.2754	4.6350		1.7845	3.1016	2.5341
H13	4.8566	6.6068	4.0289	1.1005	2.1747	2.6628	1.7905	4.7236	5.0524	4.6350	4.2754	1.7845		2.5341	3.1016
H14	4.0647	5.3580	2.6850	2.1916	1.1082	2.1054	2.5394	4.2538	4.6177	3.0716	2.4934	3.1016	2.5341		1.7922
H15	4.0647	5.3580	2.6850	2.1916	1.1082	2.1054	2.5394	4.6177	4.2538	2.4934	3.0716	2.5341	3.1016	1.7922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	105.343	C1	C3	H10	110.613
C1	C3	H11	110.613	Cl2	C1	C3	109.324
Cl2	C1	H8	106.836	Cl2	C1	H9	106.836
C3	C1	H8	111.525	C3	C1	H9	111.525
C3	O6	C5	113.370	C4	C5	O6	107.554
C4	C5	H14	111.107	C4	C5	H15	111.107
C5	C4	H7	110.533	C5	C4	H12	110.228
C5	C4	H13	110.228	O6	C3	H10	110.931
O6	C3	H11	110.931	O6	C5	H14	109.568
O6	C5	H15	109.568	H7	C4	H12	108.729
H7	C4	H13	108.729	H8	C1	H9	110.568
H10	C3	H11	108.413	H12	C4	H13	108.340
H14	C5	H15	107.927

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	-0.330
2	Cl	-0.089
3	C	-0.179
4	C	-0.274
5	C	-0.243
6	O	-0.279
7	H	0.132
8	H	0.209
9	H	0.209
10	H	0.147
11	H	0.147
12	H	0.146
13	H	0.146
14	H	0.129
15	H	0.129

	x	y	z	Total
	2.688	0.035	0.000	2.689
CHELPG
AIM
ESP

	x	y	z
x	10.418	-2.021	0.000
y	-2.021	7.647	0.000
z	0.000	0.000	5.774

<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)