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	hartrees
Energy at 0K	-689.657417
Energy at 298.15K	-689.667439
HF Energy	-689.657417
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3095	3042	8.98
2	A'	3088	3035	24.38
3	A'	3014	2962	15.83
4	A'	2955	2905	40.24
5	A'	2931	2882	35.94
6	A'	1564	1538	1.68
7	A'	1549	1523	2.86
8	A'	1539	1513	10.39
9	A'	1506	1481	4.14
10	A'	1429	1404	12.63
11	A'	1425	1401	3.15
12	A'	1352	1329	36.52
13	A'	1248	1226	25.18
14	A'	1131	1112	26.22
15	A'	1051	1033	97.96
16	A'	1030	1013	81.52
17	A'	972	956	7.44
18	A'	847	833	15.62
19	A'	658	647	59.86
20	A'	452	445	0.77
21	A'	350	344	4.13
22	A'	248	244	4.87
23	A'	113	111	2.17
24	A"	3175	3121	6.47
25	A"	3096	3043	28.52
26	A"	2992	2941	47.22
27	A"	2963	2913	59.65
28	A"	1523	1497	6.96
29	A"	1303	1280	0.09
30	A"	1294	1272	0.01
31	A"	1184	1164	4.99
32	A"	1150	1131	2.29
33	A"	1017	999	1.06
34	A"	849	835	2.20
35	A"	816	802	1.64
36	A"	237	233	0.93
37	A"	134	132	8.66
38	A"	65	64	4.74
39	A"	48	47	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.348	-0.295	0.000
Cl2	-2.719	1.038	0.000
C3	0.000	0.420	0.000
C4	3.272	-1.384	0.000
C5	2.357	-0.155	0.000
O6	0.977	-0.672	0.000
H7	4.327	-1.076	0.000
H8	-1.499	-0.886	0.905
H9	-1.499	-0.886	-0.905
H10	0.093	1.056	-0.897
H11	0.093	1.056	0.897
H12	3.071	-1.992	-0.892
H13	3.071	-1.992	0.892
H14	2.535	0.469	0.896
H15	2.535	0.469	-0.896

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.9121	1.5255	4.7463	3.7073	2.3548	5.7283	1.0915	1.0915	2.1693	2.1693	4.8168	4.8168	4.0570	4.0570
Cl2	1.9121		2.7884	6.4620	5.2142	4.0721	7.3563	2.4510	2.4510	2.9516	2.9516	6.5954	6.5954	5.3598	5.3598
C3	1.5255	2.7884		3.7362	2.4260	1.4650	4.5782	2.1846	2.1846	1.1038	1.1038	4.0054	4.0054	2.6887	2.6887
C4	4.7463	6.4620	3.7362		1.5324	2.4031	1.0994	4.8818	4.8818	4.1070	4.1070	1.0980	1.0980	2.1863	2.1863
C5	3.7073	5.2142	2.4260	1.5324		1.4740	2.1747	4.0280	4.0280	2.7199	2.7199	2.1633	2.1633	1.1058	1.1058
O6	2.3548	4.0721	1.4650	2.4031	1.4740		3.3746	2.6449	2.6449	2.1387	2.1387	2.6313	2.6313	2.1288	2.1288
H7	5.7283	7.3563	4.5782	1.0994	2.1747	3.3746		5.8994	5.8994	4.8248	4.8248	1.7925	1.7925	2.5299	2.5299
H8	1.0915	2.4510	2.1846	4.8818	4.0280	2.6449	5.8994		1.8100	3.0912	2.5116	5.0341	4.7023	4.2556	4.6208
H9	1.0915	2.4510	2.1846	4.8818	4.0280	2.6449	5.8994	1.8100		2.5116	3.0912	4.7023	5.0341	4.6208	4.2556
H10	2.1693	2.9516	1.1038	4.1070	2.7199	2.1387	4.8248	3.0912	2.5116		1.7940	4.2615	4.6220	3.0856	2.5115
H11	2.1693	2.9516	1.1038	4.1070	2.7199	2.1387	4.8248	2.5116	3.0912	1.7940		4.6220	4.2615	2.5115	3.0856
H12	4.8168	6.5954	4.0054	1.0980	2.1633	2.6313	1.7925	5.0341	4.7023	4.2615	4.6220		1.7849	3.0886	2.5184
H13	4.8168	6.5954	4.0054	1.0980	2.1633	2.6313	1.7925	4.7023	5.0341	4.6220	4.2615	1.7849		2.5184	3.0886
H14	4.0570	5.3598	2.6887	2.1863	1.1058	2.1288	2.5299	4.2556	4.6208	3.0856	2.5115	3.0886	2.5184		1.7910
H15	4.0570	5.3598	2.6887	2.1863	1.1058	2.1288	2.5299	4.6208	4.2556	2.5115	3.0856	2.5184	3.0886	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	105.659	C1	C3	H10	109.530
C1	C3	H11	109.530	Cl2	C1	C3	110.016
Cl2	C1	H8	108.275	Cl2	C1	H9	108.275
C3	C1	H8	110.217	C3	C1	H9	110.217
C3	O6	C5	113.581	C4	C5	O6	107.486
C4	C5	H14	110.297	C4	C5	H15	110.297
C5	C4	H7	110.562	C5	C4	H12	109.840
C5	C4	H13	109.840	O6	C3	H10	112.266
O6	C3	H11	112.266	O6	C5	H14	110.860
O6	C5	H15	110.860	H7	C4	H12	108.993
H7	C4	H13	108.993	H8	C1	H9	109.794
H10	C3	H11	107.560	H12	C4	H13	108.574
H14	C5	H15	107.067

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

using model chemistry: B97D3/3-21G

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	-0.543
2	Cl	-0.070
3	C	-0.128
4	C	-0.595
5	C	-0.151
6	O	-0.469
7	H	0.197
8	H	0.270
9	H	0.270
10	H	0.206
11	H	0.206
12	H	0.216
13	H	0.216
14	H	0.188
15	H	0.188

	x	y	z	Total
	2.663	-0.501	0.000	2.710
CHELPG
AIM
ESP

	x	y	z
x	11.055	-2.044	0.000
y	-2.044	7.693	0.000
z	0.000	0.000	6.233

<r²>	380.288
(<r²>)^1/2	19.501

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

using model chemistry: B97D3/3-21G

States and conformations

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