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	hartrees
Energy at 0K	-692.973282
Energy at 298.15K	-692.983622
HF Energy	-692.973282
Nuclear repulsion energy	291.552332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3013	21.31
2	A'	3107	2987	14.07
3	A'	3057	2938	16.07
4	A'	2991	2875	54.75
5	A'	2977	2861	31.93
6	A'	1529	1469	3.68
7	A'	1512	1453	4.40
8	A'	1495	1437	4.25
9	A'	1489	1431	2.66
10	A'	1447	1391	9.67
11	A'	1402	1348	16.87
12	A'	1381	1327	16.80
13	A'	1278	1228	13.56
14	A'	1186	1140	244.01
15	A'	1160	1115	31.12
16	A'	1089	1047	3.46
17	A'	1063	1022	15.50
18	A'	911	875	11.65
19	A'	782	751	40.87
20	A'	480	462	0.54
21	A'	379	365	2.39
22	A'	266	256	2.82
23	A'	122	118	1.24
24	A"	3169	3046	5.73
25	A"	3136	3014	23.84
26	A"	3025	2907	26.82
27	A"	3006	2889	59.57
28	A"	1477	1419	7.08
29	A"	1301	1250	3.34
30	A"	1298	1247	0.00
31	A"	1218	1171	5.03
32	A"	1178	1132	3.38
33	A"	1061	1019	1.92
34	A"	820	788	0.96
35	A"	801	770	0.32
36	A"	247	237	0.83
37	A"	148	143	6.94
38	A"	86	82	1.97
39	A"	55	53	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.386	-0.218	0.000
Cl2	-2.616	1.054	0.000
C3	0.000	0.395	0.000
C4	3.203	-1.412	0.000
C5	2.280	-0.210	0.000
O6	0.935	-0.664	0.000
H7	4.242	-1.083	0.000
H8	-1.528	-0.836	0.885
H9	-1.528	-0.836	-0.885
H10	0.124	1.027	-0.887
H11	0.124	1.027	0.887
H12	3.030	-2.021	-0.887
H13	3.030	-2.021	0.887
H14	2.459	0.406	0.889
H15	2.459	0.406	-0.889

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7697	1.5152	4.7411	3.6657	2.3629	5.6936	1.0886	1.0886	2.1484	2.1484	4.8511	4.8511	3.9954	3.9954
Cl2	1.7697		2.6977	6.3197	5.0566	3.9446	7.1831	2.3535	2.3535	2.8801	2.8801	6.4897	6.4897	5.1931	5.1931
C3	1.5152	2.6977		3.6774	2.3590	1.4126	4.4920	2.1522	2.1522	1.0964	1.0964	3.9753	3.9753	2.6150	2.6150
C4	4.7411	6.3197	3.6774		1.5155	2.3880	1.0904	4.8467	4.8467	4.0269	4.0269	1.0899	1.0899	2.1565	2.1565
C5	3.6657	5.0566	2.3590	1.5155		1.4198	2.1473	3.9590	3.9590	2.6394	2.6394	2.1516	2.1516	1.0965	1.0965
O6	2.3629	3.9446	1.4126	2.3880	1.4198		3.3335	2.6223	2.6223	2.0746	2.0746	2.6490	2.6490	2.0639	2.0639
H7	5.6936	7.1831	4.4920	1.0904	2.1473	3.3335		5.8423	5.8423	4.7114	4.7114	1.7713	1.7713	2.4871	2.4871
H8	1.0886	2.3535	2.1522	4.8467	3.9590	2.6223	5.8423		1.7700	3.0558	2.4893	5.0314	4.7089	4.1758	4.5371
H9	1.0886	2.3535	2.1522	4.8467	3.9590	2.6223	5.8423	1.7700		2.4893	3.0558	4.7089	5.0314	4.5371	4.1758
H10	2.1484	2.8801	1.0964	4.0269	2.6394	2.0746	4.7114	3.0558	2.4893		1.7749	4.2110	4.5698	2.9993	2.4165
H11	2.1484	2.8801	1.0964	4.0269	2.6394	2.0746	4.7114	2.4893	3.0558	1.7749		4.5698	4.2110	2.4165	2.9993
H12	4.8511	6.4897	3.9753	1.0899	2.1516	2.6490	1.7713	5.0314	4.7089	4.2110	4.5698		1.7750	3.0615	2.4932
H13	4.8511	6.4897	3.9753	1.0899	2.1516	2.6490	1.7713	4.7089	5.0314	4.5698	4.2110	1.7750		2.4932	3.0615
H14	3.9954	5.1931	2.6150	2.1565	1.0965	2.0639	2.4871	4.1758	4.5371	2.9993	2.4165	3.0615	2.4932		1.7785
H15	3.9954	5.1931	2.6150	2.1565	1.0965	2.0639	2.4871	4.5371	4.1758	2.4165	2.9993	2.4932	3.0615	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.569	C1	C3	H10	109.657
C1	C3	H11	109.657	Cl2	C1	C3	110.181
Cl2	C1	H8	108.492	Cl2	C1	H9	108.492
C3	C1	H8	110.422	C3	C1	H9	110.422
C3	O6	C5	112.786	C4	C5	O6	108.843
C4	C5	H14	110.265	C4	C5	H15	110.265
C5	C4	H7	109.897	C5	C4	H12	110.272
C5	C4	H13	110.272	O6	C3	H10	110.933
O6	C3	H11	110.933	O6	C5	H14	109.538
O6	C5	H15	109.538	H7	C4	H12	108.662
H7	C4	H13	108.662	H8	C1	H9	108.776
H10	C3	H11	108.086	H12	C4	H13	109.037
H14	C5	H15	108.379

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

using model chemistry: HSEh1PBE/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	-0.112
2	Cl	-0.173
3	C	0.030
4	C	-0.283
5	C	0.028
6	O	-0.283
7	H	0.092
8	H	0.125
9	H	0.125
10	H	0.067
11	H	0.067
12	H	0.102
13	H	0.102
14	H	0.057
15	H	0.057

	x	y	z	Total
	2.002	-0.314	0.000	2.027
CHELPG
AIM
ESP

	x	y	z
x	12.210	-1.550	0.000
y	-1.550	9.319	0.000
z	0.000	0.000	7.965

<r²>	362.577
(<r²>)^1/2	19.041

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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