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	hartrees
Energy at 0K	-689.379713
Energy at 298.15K	-689.389968
HF Energy	-689.379713
Nuclear repulsion energy	286.289560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3053	5.63
2	A'	3166	3049	16.08
3	A'	3086	2972	10.46
4	A'	3034	2923	28.18
5	A'	3015	2905	29.84
6	A'	1593	1535	3.57
7	A'	1577	1520	4.45
8	A'	1566	1509	9.66
9	A'	1533	1477	7.32
10	A'	1463	1409	12.45
11	A'	1458	1404	8.07
12	A'	1389	1338	30.36
13	A'	1287	1239	19.60
14	A'	1170	1127	58.37
15	A'	1127	1085	140.38
16	A'	1085	1046	3.98
17	A'	1025	987	6.62
18	A'	893	861	12.32
19	A'	711	685	59.50
20	A'	465	448	1.35
21	A'	362	349	4.47
22	A'	258	249	5.02
23	A'	117	113	2.18
24	A"	3249	3129	2.11
25	A"	3172	3055	18.61
26	A"	3075	2963	33.57
27	A"	3050	2938	48.41
28	A"	1547	1490	8.83
29	A"	1335	1286	0.08
30	A"	1325	1276	0.00
31	A"	1220	1175	6.40
32	A"	1186	1143	3.33
33	A"	1050	1012	1.14
34	A"	866	834	2.88
35	A"	834	803	1.90
36	A"	244	235	1.09
37	A"	144	138	9.40
38	A"	85	82	4.92
39	A"	57	55	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.380	-0.220	0.000
Cl2	-2.672	1.075	0.000
C3	0.000	0.425	0.000
C4	3.224	-1.471	0.000
C5	2.345	-0.221	0.000
O6	0.957	-0.658	0.000
H7	4.280	-1.185	0.000
H8	-1.497	-0.842	0.889
H9	-1.497	-0.842	-0.889
H10	0.101	1.066	-0.890
H11	0.101	1.066	0.890
H12	3.016	-2.069	-0.891
H13	3.016	-2.069	0.891
H14	2.560	0.388	0.892
H15	2.560	0.388	-0.892

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8302	1.5232	4.7700	3.7242	2.3775	5.7415	1.0907	1.0907	2.1532	2.1532	4.8508	4.8508	4.0847	4.0847
Cl2	1.8302		2.7501	6.4220	5.1816	4.0222	7.3108	2.4180	2.4180	2.9120	2.9120	6.5600	6.5600	5.3519	5.3519
C3	1.5232	2.7501		3.7399	2.4320	1.4459	4.5733	2.1529	2.1529	1.1009	1.1009	4.0138	4.0138	2.7110	2.7110
C4	4.7700	6.4220	3.7399		1.5279	2.4076	1.0945	4.8441	4.8441	4.1205	4.1205	1.0934	1.0934	2.1656	2.1656
C5	3.7242	5.1816	2.4320	1.5279		1.4547	2.1626	3.9912	3.9912	2.7355	2.7355	2.1588	2.1588	1.1010	1.1010
O6	2.3775	4.0222	1.4459	2.4076	1.4547		3.3646	2.6162	2.6162	2.1209	2.1209	2.6499	2.6499	2.1115	2.1115
H7	5.7415	7.3108	4.5733	1.0945	2.1626	3.3646		5.8549	5.8549	4.8301	4.8301	1.7816	1.7816	2.4960	2.4960
H8	1.0907	2.4180	2.1529	4.8441	3.9912	2.6162	5.8549		1.7771	3.0581	2.4879	5.0035	4.6762	4.2388	4.5975
H9	1.0907	2.4180	2.1529	4.8441	3.9912	2.6162	5.8549	1.7771		2.4879	3.0581	4.6762	5.0035	4.5975	4.2388
H10	2.1532	2.9120	1.1009	4.1205	2.7355	2.1209	4.8301	3.0581	2.4879		1.7795	4.2809	4.6365	3.1115	2.5511
H11	2.1532	2.9120	1.1009	4.1205	2.7355	2.1209	4.8301	2.4879	3.0581	1.7795		4.6365	4.2809	2.5511	3.1115
H12	4.8508	6.5600	4.0138	1.0934	2.1588	2.6499	1.7816	5.0035	4.6762	4.2809	4.6365		1.7825	3.0698	2.4989
H13	4.8508	6.5600	4.0138	1.0934	2.1588	2.6499	1.7816	4.6762	5.0035	4.6365	4.2809	1.7825		2.4989	3.0698
H14	4.0847	5.3519	2.7110	2.1656	1.1010	2.1115	2.4960	4.2388	4.5975	3.1115	2.5511	3.0698	2.4989		1.7834
H15	4.0847	5.3519	2.7110	2.1656	1.1010	2.1115	2.4960	4.5975	4.2388	2.5511	3.1115	2.4989	3.0698	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.374	C1	C3	H10	109.227
C1	C3	H11	109.227	Cl2	C1	C3	109.857
Cl2	C1	H8	109.123	Cl2	C1	H9	109.123
C3	C1	H8	109.801	C3	C1	H9	109.801
C3	O6	C5	113.955	C4	C5	O6	107.621
C4	C5	H14	109.866	C4	C5	H15	109.866
C5	C4	H7	110.013	C5	C4	H12	109.771
C5	C4	H13	109.771	O6	C3	H10	112.060
O6	C3	H11	112.060	O6	C5	H14	110.658
O6	C5	H15	110.658	H7	C4	H12	109.038
H7	C4	H13	109.038	H8	C1	H9	109.116
H10	C3	H11	107.843	H12	C4	H13	109.188
H14	C5	H15	108.175

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

using model chemistry: HSEh1PBE/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	-0.606
2	Cl	-0.049
3	C	-0.142
4	C	-0.646
5	C	-0.171
6	O	-0.498
7	H	0.214
8	H	0.290
9	H	0.290
10	H	0.222
11	H	0.222
12	H	0.233
13	H	0.233
14	H	0.204
15	H	0.204

	x	y	z	Total
	2.647	-0.418	0.000	2.680
CHELPG
AIM
ESP

	x	y	z
x	10.382	-1.869	0.000
y	-1.869	7.445	0.000
z	0.000	0.000	6.115

<r²>	373.514
(<r²>)^1/2	19.327

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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