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	hartrees
Energy at 0K	-693.196087
Energy at 298.15K	-693.206413
Nuclear repulsion energy	290.500121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3127	3010	30.11
2	A'	3108	2992	19.42
3	A'	3050	2937	20.22
4	A'	2993	2881	64.03
5	A'	2976	2865	34.26
6	A'	1546	1488	3.91
7	A'	1528	1471	4.14
8	A'	1513	1457	5.12
9	A'	1501	1445	3.47
10	A'	1460	1405	10.52
11	A'	1416	1363	23.58
12	A'	1394	1342	14.96
13	A'	1303	1254	23.28
14	A'	1176	1132	194.79
15	A'	1159	1116	79.80
16	A'	1085	1045	1.94
17	A'	1055	1015	17.59
18	A'	911	877	14.45
19	A'	769	740	49.59
20	A'	479	461	0.56
21	A'	377	363	2.55
22	A'	265	255	3.20
23	A'	122	117	1.49
24	A"	3172	3054	10.68
25	A"	3130	3013	33.26
26	A"	3027	2914	39.45
27	A"	3006	2894	69.62
28	A"	1495	1439	8.67
29	A"	1316	1266	3.97
30	A"	1311	1262	0.50
31	A"	1231	1186	3.60
32	A"	1187	1143	5.32
33	A"	1077	1037	4.49
34	A"	827	796	0.99
35	A"	808	778	0.42
36	A"	255	245	0.98
37	A"	152	146	8.03
38	A"	82	79	2.01
39	A"	57	55	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	-1.353	-0.273	0.000
Cl2	-2.669	0.950	0.000
C3	0.000	0.407	0.000
C4	3.239	-1.302	0.000
C5	2.291	-0.125	0.000
O6	0.964	-0.616	0.000
H7	4.278	-0.960	0.000
H8	-1.479	-0.889	0.889
H9	-1.479	-0.889	-0.889
H10	0.102	1.048	-0.888
H11	0.102	1.048	0.888
H12	3.081	-1.923	-0.885
H13	3.081	-1.923	0.885
H14	2.455	0.508	0.886
H15	2.455	0.508	-0.886

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7966	1.5140	4.7060	3.6471	2.3425	5.6723	1.0890	1.0890	2.1562	2.1562	4.8130	4.8130	3.9866	3.9866
Cl2	1.7966		2.7236	6.3227	5.0751	3.9565	7.2042	2.3642	2.3642	2.9110	2.9110	6.4883	6.4883	5.2183	5.2183
C3	1.5140	2.7236		3.6622	2.3519	1.4058	4.4905	2.1583	2.1583	1.1003	1.1003	3.9626	3.9626	2.6117	2.6117
C4	4.7060	6.3227	3.6622		1.5115	2.3759	1.0934	4.8191	4.8191	4.0194	4.0194	1.0927	1.0927	2.1628	2.1628
C5	3.6471	5.0751	2.3519	1.5115		1.4149	2.1548	3.9485	3.9485	2.6379	2.6379	2.1542	2.1542	1.1013	1.1013
O6	2.3425	3.9565	1.4058	2.3759	1.4149		3.3310	2.6145	2.6145	2.0743	2.0743	2.6402	2.6402	2.0666	2.0666
H7	5.6723	7.2042	4.4905	1.0934	2.1548	3.3310		5.8255	5.8255	4.7179	4.7179	1.7729	1.7729	2.5027	2.5027
H8	1.0890	2.3642	2.1583	4.8191	3.9485	2.6145	5.8255		1.7773	3.0676	2.5005	5.0009	4.6759	4.1748	4.5365
H9	1.0890	2.3642	2.1583	4.8191	3.9485	2.6145	5.8255	1.7773		2.5005	3.0676	4.6759	5.0009	4.5365	4.1748
H10	2.1562	2.9110	1.1003	4.0194	2.6379	2.0743	4.7179	3.0676	2.5005		1.7768	4.2074	4.5659	2.9964	2.4141
H11	2.1562	2.9110	1.1003	4.0194	2.6379	2.0743	4.7179	2.5005	3.0676	1.7768		4.5659	4.2074	2.4141	2.9964
H12	4.8130	6.4883	3.9626	1.0927	2.1542	2.6402	1.7729	5.0009	4.6759	4.2074	4.5659		1.7700	3.0725	2.5105
H13	4.8130	6.4883	3.9626	1.0927	2.1542	2.6402	1.7729	4.6759	5.0009	4.5659	4.2074	1.7700		2.5105	3.0725
H14	3.9866	5.2183	2.6117	2.1628	1.1013	2.0666	2.5027	4.1748	4.5365	2.9964	2.4141	3.0725	2.5105		1.7729
H15	3.9866	5.2183	2.6117	2.1628	1.1013	2.0666	2.5027	4.5365	4.1748	2.4141	2.9964	2.5105	3.0725	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.642	C1	C3	H10	110.120
C1	C3	H11	110.120	Cl2	C1	C3	110.422
Cl2	C1	H8	107.488	Cl2	C1	H9	107.488
C3	C1	H8	110.968	C3	C1	H9	110.968
C3	O6	C5	112.983	C4	C5	O6	108.517
C4	C5	H14	110.760	C4	C5	H15	110.760
C5	C4	H7	110.600	C5	C4	H12	110.599
C5	C4	H13	110.599	O6	C3	H10	111.145
O6	C3	H11	111.145	O6	C5	H14	109.801
O6	C5	H15	109.801	H7	C4	H12	108.390
H7	C4	H13	108.390	H8	C1	H9	109.380
H10	C3	H11	107.689	H12	C4	H13	108.179
H14	C5	H15	107.196

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

using model chemistry: B3PW91/6-311G*

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	-0.530
2	Cl	-0.093
3	C	-0.202
4	C	-0.669
5	C	-0.216
6	O	-0.342
7	H	0.220
8	H	0.276
9	H	0.276
10	H	0.214
11	H	0.214
12	H	0.229
13	H	0.229
14	H	0.197
15	H	0.197

	x	y	z	Total
	2.214	-0.279	0.000	2.232
CHELPG
AIM
ESP

<r²>	365.366
(<r²>)^1/2	19.115

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

using model chemistry: B3PW91/6-311G*

States and conformations

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