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	hartrees
Energy at 0K	-57.567417
Energy at 298.15K	-57.578043
Nuclear repulsion energy	137.644280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	2982	37.58
2	A'	3297	2961	73.29
3	A'	3230	2901	35.87
4	A'	3222	2894	88.98
5	A'	3197	2871	49.25
6	A'	1668	1498	0.52
7	A'	1653	1484	4.14
8	A'	1633	1466	7.38
9	A'	1626	1460	4.22
10	A'	1595	1432	13.42
11	A'	1553	1395	37.78
12	A'	1515	1361	26.55
13	A'	1403	1260	59.27
14	A'	1284	1153	298.01
15	A'	1256	1128	32.78
16	A'	1156	1038	2.83
17	A'	1132	1016	17.62
18	A'	976	877	17.35
19	A'	816	733	79.27
20	A'	506	455	0.88
21	A'	402	361	2.97
22	A'	280	252	3.76
23	A'	131	118	1.78
24	A"	3395	3049	27.98
25	A"	3309	2971	82.47
26	A"	3264	2931	73.92
27	A"	3233	2903	66.37
28	A"	1611	1446	3.46
29	A"	1418	1274	5.32
30	A"	1410	1266	0.11
31	A"	1324	1189	6.98
32	A"	1281	1150	4.99
33	A"	1151	1034	2.33
34	A"	872	783	0.04
35	A"	848	762	0.01
36	A"	271	243	1.72
37	A"	169	152	11.93
38	A"	94	84	2.24
39	A"	66	60	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	1.256	-1.286	0.000
Cl2	1.161	-3.089	0.000
C3	-0.154	-0.691	0.000
C4	-0.922	2.906	0.000
C5	-1.223	1.407	0.000
O6	0.000	0.703	0.000
H7	-1.853	3.477	0.000
H8	1.805	-0.993	0.887
H9	1.805	-0.993	-0.887
H10	-0.701	-1.024	-0.885
H11	-0.701	-1.024	0.885
H12	-0.346	3.177	-0.885
H13	-0.346	3.177	0.885
H14	-1.808	1.131	0.884
H15	-1.808	1.131	-0.884

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8053	1.5300	4.7242	3.6604	2.3522	5.6878	1.0834	1.0834	2.1642	2.1642	4.8237	4.8237	4.0016	4.0016
Cl2	1.8053		2.7342	6.3463	5.0885	3.9652	7.2243	2.3654	2.3654	2.9177	2.9177	6.5050	6.5050	5.2348	5.2348
C3	1.5300	2.7342		3.6784	2.3549	1.4023	4.5012	2.1707	2.1707	1.0932	1.0932	3.9730	3.9730	2.6153	2.6153
C4	4.7242	6.3463	3.6784		1.5294	2.3885	1.0921	4.8396	4.8396	4.0349	4.0349	1.0906	1.0906	2.1715	2.1715
C5	3.6604	5.0885	2.3549	1.5294		1.4115	2.1638	3.9639	3.9639	2.6394	2.6394	2.1654	2.1654	1.0949	1.0949
O6	2.3522	3.9652	1.4023	2.3885	1.4115		3.3361	2.6301	2.6301	2.0636	2.0636	2.6506	2.6506	2.0576	2.0576
H7	5.6878	7.2243	4.5012	1.0921	2.1638	3.3361		5.8431	5.8431	4.7298	4.7298	1.7737	1.7737	2.5069	2.5069
H8	1.0834	2.3654	2.1707	4.8396	3.9639	2.6301	5.8431		1.7741	3.0695	2.5060	5.0151	4.6915	4.1906	4.5495
H9	1.0834	2.3654	2.1707	4.8396	3.9639	2.6301	5.8431	1.7741		2.5060	3.0695	4.6915	5.0151	4.5495	4.1906
H10	2.1642	2.9177	1.0932	4.0349	2.6394	2.0636	4.7298	3.0695	2.5060		1.7709	4.2165	4.5732	3.0004	2.4231
H11	2.1642	2.9177	1.0932	4.0349	2.6394	2.0636	4.7298	2.5060	3.0695	1.7709		4.5732	4.2165	2.4231	3.0004
H12	4.8237	6.5050	3.9730	1.0906	2.1654	2.6506	1.7737	5.0151	4.6915	4.2165	4.5732		1.7703	3.0747	2.5147
H13	4.8237	6.5050	3.9730	1.0906	2.1654	2.6506	1.7737	4.6915	5.0151	4.5732	4.2165	1.7703		2.5147	3.0747
H14	4.0016	5.2348	2.6153	2.1715	1.0949	2.0576	2.5069	4.1906	4.5495	3.0004	2.4231	3.0747	2.5147		1.7680
H15	4.0016	5.2348	2.6153	2.1715	1.0949	2.0576	2.5069	4.5495	4.1906	2.4231	3.0004	2.5147	3.0747	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.591	C1	C3	H10	110.069
C1	C3	H11	110.069	Cl2	C1	C3	109.850
Cl2	C1	H8	107.284	Cl2	C1	H9	107.284
C3	C1	H8	111.173	C3	C1	H9	111.173
C3	O6	C5	113.629	C4	C5	O6	108.553
C4	C5	H14	110.590	C4	C5	H15	110.590
C5	C4	H7	110.148	C5	C4	H12	110.358
C5	C4	H13	110.358	O6	C3	H10	110.964
O6	C3	H11	110.964	O6	C5	H14	109.711
O6	C5	H15	109.711	H7	C4	H12	108.710
H7	C4	H13	108.710	H8	C1	H9	109.924
H10	C3	H11	108.190	H12	C4	H13	108.508
H14	C5	H15	107.678

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

using model chemistry: HF/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	-0.051
2	Cl	-0.216
3	C	-0.090
4	C	-0.181
5	C	-0.109
6	O	-0.368
7	H	0.103
8	H	0.154
9	H	0.154
10	H	0.104
11	H	0.104
12	H	0.110
13	H	0.110
14	H	0.088
15	H	0.088

	x	y	z	Total
	-1.465	1.997	0.000	2.477
CHELPG
AIM
ESP

	x	y	z
x	6.944	-0.849	0.000
y	-0.849	10.483	0.000
z	0.000	0.000	6.124

<r²>	236.746
(<r²>)^1/2	15.387

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

using model chemistry: HF/CEP-31G*

States and conformations

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