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	hartrees
Energy at 0K	-691.174878
Energy at 298.15K	-691.185570
Nuclear repulsion energy	291.868547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	2958	19.23
2	A'	3227	2938	43.08
3	A'	3167	2883	23.46
4	A'	3145	2863	57.28
5	A'	3121	2841	34.91
6	A'	1658	1510	2.81
7	A'	1642	1495	4.23
8	A'	1622	1476	7.23
9	A'	1616	1471	1.52
10	A'	1585	1443	8.00
11	A'	1540	1402	28.36
12	A'	1515	1379	20.13
13	A'	1397	1272	33.00
14	A'	1281	1167	306.19
15	A'	1253	1141	32.76
16	A'	1146	1043	1.62
17	A'	1124	1023	14.00
18	A'	974	887	14.52
19	A'	806	733	67.81
20	A'	512	466	0.54
21	A'	404	367	2.60
22	A'	283	258	3.22
23	A'	132	121	1.41
24	A"	3311	3014	8.25
25	A"	3236	2946	47.52
26	A"	3175	2890	43.92
27	A"	3145	2863	45.42
28	A"	1599	1456	5.25
29	A"	1421	1294	4.10
30	A"	1412	1285	0.34
31	A"	1326	1207	6.38
32	A"	1283	1168	3.02
33	A"	1153	1050	1.60
34	A"	883	804	0.12
35	A"	857	781	0.08
36	A"	272	248	1.18
37	A"	168	153	9.58
38	A"	93	84	1.95
39	A"	66	60	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	-1.348	-0.278	0.000
Cl2	-2.665	0.938	0.000
C3	0.000	0.411	0.000
C4	3.228	-1.307	0.000
C5	2.288	-0.122	0.000
O6	0.969	-0.585	0.000
H7	4.257	-0.966	0.000
H8	-1.475	-0.885	0.880
H9	-1.475	-0.885	-0.880
H10	0.092	1.044	-0.879
H11	0.092	1.044	0.879
H12	3.068	-1.920	-0.878
H13	3.068	-1.920	0.878
H14	2.459	0.499	0.877
H15	2.459	0.499	-0.877

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7931	1.5135	4.6899	3.6388	2.3367	5.6468	1.0764	1.0764	2.1431	2.1431	4.7923	4.7923	3.9833	3.9833
Cl2	1.7931		2.7168	6.3061	5.0649	3.9403	7.1793	2.3483	2.3483	2.8959	2.8959	6.4660	6.4660	5.2174	5.2174
C3	1.5135	2.7168		3.6563	2.3489	1.3894	4.4741	2.1514	2.1514	1.0867	1.0867	3.9516	3.9516	2.6126	2.6126
C4	4.6899	6.3061	3.6563		1.5125	2.3716	1.0838	4.8033	4.8033	4.0158	4.0158	1.0827	1.0827	2.1495	2.1495
C5	3.6388	5.0649	2.3489	1.5125		1.3981	2.1427	3.9390	3.9390	2.6361	2.6361	2.1475	2.1475	1.0883	1.0883
O6	2.3367	3.9403	1.3894	2.3716	1.3981		3.3103	2.6146	2.6146	2.0477	2.0477	2.6380	2.6380	2.0414	2.0414
H7	5.6468	7.1793	4.4741	1.0838	2.1427	3.3103		5.7998	5.7998	4.7069	4.7069	1.7586	1.7586	2.4796	2.4796
H8	1.0764	2.3483	2.1514	4.8033	3.9390	2.6146	5.7998		1.7599	3.0444	2.4852	4.9804	4.6598	4.1707	4.5258
H9	1.0764	2.3483	2.1514	4.8033	3.9390	2.6146	5.7998	1.7599		2.4852	3.0444	4.6598	4.9804	4.5258	4.1707
H10	2.1431	2.8959	1.0867	4.0158	2.6361	2.0477	4.7069	3.0444	2.4852		1.7570	4.1995	4.5520	2.9968	2.4287
H11	2.1431	2.8959	1.0867	4.0158	2.6361	2.0477	4.7069	2.4852	3.0444	1.7570		4.5520	4.1995	2.4287	2.9968
H12	4.7923	6.4660	3.9516	1.0827	2.1475	2.6380	1.7586	4.9804	4.6598	4.1995	4.5520		1.7561	3.0497	2.4940
H13	4.7923	6.4660	3.9516	1.0827	2.1475	2.6380	1.7586	4.6598	4.9804	4.5520	4.1995	1.7561		2.4940	3.0497
H14	3.9833	5.2174	2.6126	2.1495	1.0883	2.0414	2.4796	4.1707	4.5258	2.9968	2.4287	3.0497	2.4940		1.7544
H15	3.9833	5.2174	2.6126	2.1495	1.0883	2.0414	2.4796	4.5258	4.1707	2.4287	2.9968	2.4940	3.0497	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.134	C1	C3	H10	109.927
C1	C3	H11	109.927	Cl2	C1	C3	110.207
Cl2	C1	H8	107.185	Cl2	C1	H9	107.185
C3	C1	H8	111.216	C3	C1	H9	111.216
C3	O6	C5	114.840	C4	C5	O6	109.076
C4	C5	H14	110.414	C4	C5	H15	110.414
C5	C4	H7	110.145	C5	C4	H12	110.596
C5	C4	H13	110.596	O6	C3	H10	110.991
O6	C3	H11	110.991	O6	C5	H14	109.750
O6	C5	H15	109.750	H7	C4	H12	108.528
H7	C4	H13	108.528	H8	C1	H9	109.669
H10	C3	H11	107.879	H12	C4	H13	108.384
H14	C5	H15	107.421

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.317
2	Cl	-0.372
3	C	-0.301
4	C	-0.996
5	C	-0.199
6	O	-0.505
7	H	0.333
8	H	0.259
9	H	0.259
10	H	0.350
11	H	0.350
12	H	0.264
13	H	0.264
14	H	0.305
15	H	0.305

	x	y	z
x	12.017	-1.324	0.000
y	-1.324	9.446	0.000
z	0.000	0.000	8.316

<r²>	363.488
(<r²>)^1/2	19.065

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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