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	hartrees
Energy at 0K	-692.870476
Energy at 298.15K	-692.880822
HF Energy	-692.870476
Nuclear repulsion energy	290.695380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3014	21.84
2	A'	3126	2985	13.65
3	A'	3071	2932	17.81
4	A'	3009	2873	59.69
5	A'	2994	2859	36.55
6	A'	1534	1464	2.84
7	A'	1516	1447	4.28
8	A'	1502	1434	5.32
9	A'	1495	1427	3.86
10	A'	1453	1387	11.64
11	A'	1411	1348	21.08
12	A'	1386	1323	14.29
13	A'	1294	1236	19.14
14	A'	1194	1140	247.19
15	A'	1163	1110	22.64
16	A'	1092	1043	3.89
17	A'	1067	1018	17.51
18	A'	914	872	12.44
19	A'	782	746	46.09
20	A'	482	461	0.51
21	A'	381	364	2.56
22	A'	268	256	3.37
23	A'	124	118	1.41
24	A"	3196	3051	4.49
25	A"	3161	3019	23.07
26	A"	3051	2913	27.40
27	A"	3031	2894	63.11
28	A"	1485	1418	8.45
29	A"	1305	1246	3.56
30	A"	1300	1241	0.49
31	A"	1221	1166	4.80
32	A"	1179	1126	4.49
33	A"	1072	1023	2.38
34	A"	823	786	0.91
35	A"	804	768	0.26
36	A"	251	239	0.85
37	A"	152	145	8.58
38	A"	86	82	2.27
39	A"	59	56	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.384	-0.223	0.000
Cl2	-2.634	1.037	0.000
C3	0.000	0.405	0.000
C4	3.214	-1.408	0.000
C5	2.294	-0.198	0.000
O6	0.944	-0.650	0.000
H7	4.258	-1.082	0.000
H8	-1.518	-0.845	0.887
H9	-1.518	-0.845	-0.887
H10	0.119	1.039	-0.891
H11	0.119	1.039	0.891
H12	3.039	-2.018	-0.890
H13	3.039	-2.018	0.890
H14	2.476	0.418	0.893
H15	2.476	0.418	-0.893

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7748	1.5200	4.7482	3.6785	2.3671	5.7068	1.0918	1.0918	2.1554	2.1554	4.8556	4.8556	4.0139	4.0139
Cl2	1.7748		2.7090	6.3386	5.0810	3.9561	7.2103	2.3610	2.3610	2.8939	2.8939	6.5045	6.5045	5.2249	5.2249
C3	1.5200	2.7090		3.6901	2.3723	1.4160	4.5099	2.1575	2.1575	1.0998	1.0998	3.9873	3.9873	2.6323	2.6323
C4	4.7482	6.3386	3.6901		1.5195	2.3929	1.0937	4.8471	4.8471	4.0448	4.0448	1.0929	1.0929	2.1621	2.1621
C5	3.6785	5.0810	2.3723	1.5195		1.4236	2.1530	3.9672	3.9672	2.6565	2.6565	2.1581	2.1581	1.0999	1.0999
O6	2.3671	3.9561	1.4160	2.3929	1.4236		3.3416	2.6244	2.6244	2.0803	2.0803	2.6554	2.6554	2.0700	2.0700
H7	5.7068	7.2103	4.5099	1.0937	2.1530	3.3416		5.8483	5.8483	4.7351	4.7351	1.7760	1.7760	2.4938	2.4938
H8	1.0918	2.3610	2.1575	4.8471	3.9672	2.6244	5.8483		1.7744	3.0645	2.4959	5.0297	4.7054	4.1893	4.5517
H9	1.0918	2.3610	2.1575	4.8471	3.9672	2.6244	5.8483	1.7744		2.4959	3.0645	4.7054	5.0297	4.5517	4.1893
H10	2.1554	2.8939	1.0998	4.0448	2.6565	2.0803	4.7351	3.0645	2.4959		1.7818	4.2275	4.5872	3.0206	2.4379
H11	2.1554	2.8939	1.0998	4.0448	2.6565	2.0803	4.7351	2.4959	3.0645	1.7818		4.5872	4.2275	2.4379	3.0206
H12	4.8556	6.5045	3.9873	1.0929	2.1581	2.6554	1.7760	5.0297	4.7054	4.2275	4.5872		1.7794	3.0704	2.5002
H13	4.8556	6.5045	3.9873	1.0929	2.1581	2.6554	1.7760	4.7054	5.0297	4.5872	4.2275	1.7794		2.5002	3.0704
H14	4.0139	5.2249	2.6323	2.1621	1.0999	2.0700	2.4938	4.1893	4.5517	3.0206	2.4379	3.0704	2.5002		1.7851
H15	4.0139	5.2249	2.6323	2.1621	1.0999	2.0700	2.4938	4.5517	4.1893	2.4379	3.0206	2.5002	3.0704	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.408	C1	C3	H10	109.675
C1	C3	H11	109.675	Cl2	C1	C3	110.371
Cl2	C1	H8	108.544	Cl2	C1	H9	108.544
C3	C1	H8	110.312	C3	C1	H9	110.312
C3	O6	C5	113.325	C4	C5	O6	108.747
C4	C5	H14	110.237	C4	C5	H15	110.237
C5	C4	H7	109.884	C5	C4	H12	110.334
C5	C4	H13	110.334	O6	C3	H10	110.939
O6	C3	H11	110.939	O6	C5	H14	109.561
O6	C5	H15	109.561	H7	C4	H12	108.625
H7	C4	H13	108.625	H8	C1	H9	108.704
H10	C3	H11	108.199	H12	C4	H13	108.995
H14	C5	H15	108.485

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.453
2	Cl	-0.019
3	C	-0.216
4	C	-0.634
5	C	0.067
6	O	-0.315
7	H	0.167
8	H	0.222
9	H	0.222
10	H	0.158
11	H	0.158
12	H	0.180
13	H	0.180
14	H	0.140
15	H	0.140

	x	y	z	Total
	2.168	-0.217	0.000	2.179
CHELPG
AIM
ESP

	x	y	z
x	11.647	-1.399	0.000
y	-1.399	9.137	0.000
z	0.000	0.000	7.899

<r²>	364.738
(<r²>)^1/2	19.098

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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