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	hartrees
Energy at 0K	-57.455927
Energy at 298.15K	-57.466450
Nuclear repulsion energy	136.127737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	2992	18.54
2	A'	3247	2963	58.45
3	A'	3169	2892	46.66
4	A'	3160	2883	40.68
5	A'	3137	2863	50.35
6	A'	1673	1527	2.32
7	A'	1661	1516	4.70
8	A'	1637	1494	5.19
9	A'	1621	1479	6.41
10	A'	1577	1439	11.79
11	A'	1553	1417	5.83
12	A'	1514	1382	38.66
13	A'	1403	1280	49.21
14	A'	1250	1140	96.99
15	A'	1232	1124	194.61
16	A'	1167	1065	8.34
17	A'	1107	1010	16.08
18	A'	957	873	26.96
19	A'	737	672	97.98
20	A'	491	448	1.14
21	A'	382	348	4.76
22	A'	271	247	5.96
23	A'	124	113	2.45
24	A"	3375	3080	13.11
25	A"	3264	2979	67.58
26	A"	3228	2945	53.68
27	A"	3190	2910	50.20
28	A"	1621	1479	6.29
29	A"	1413	1289	3.57
30	A"	1401	1278	0.88
31	A"	1310	1195	11.23
32	A"	1278	1167	4.20
33	A"	1150	1049	2.00
34	A"	895	817	0.20
35	A"	872	795	0.00
36	A"	252	230	2.13
37	A"	152	139	18.31
38	A"	81	74	3.67
39	A"	59	53	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	1.189	-1.332	0.000
Cl2	1.047	-3.200	0.000
C3	-0.206	-0.720	0.000
C4	-0.749	2.982	0.000
C5	-1.188	1.521	0.000
O6	0.000	0.699	0.000
H7	-1.616	3.637	0.000
H8	1.742	-1.077	0.888
H9	1.742	-1.077	-0.888
H10	-0.759	-1.027	-0.884
H11	-0.759	-1.027	0.884
H12	-0.151	3.196	-0.880
H13	-0.151	3.196	0.880
H14	-1.783	1.290	0.883
H15	-1.783	1.290	-0.883

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8732	1.5238	4.7296	3.7140	2.3543	5.7068	1.0764	1.0764	2.1614	2.1614	4.8042	4.8042	4.0613	4.0613
Cl2	1.8732		2.7790	6.4378	5.2236	4.0377	7.3379	2.4038	2.4038	2.9612	2.9612	6.5670	6.5670	5.3812	5.3812
C3	1.5238	2.7790		3.7414	2.4466	1.4341	4.5797	2.1699	2.1699	1.0869	1.0869	4.0141	4.0141	2.7034	2.7034
C4	4.7296	6.4378	3.7414		1.5256	2.4022	1.0870	4.8440	4.8440	4.1050	4.1050	1.0846	1.0846	2.1703	2.1703
C5	3.7140	5.2236	2.4466	1.5256		1.4444	2.1592	4.0149	4.0149	2.7305	2.7305	2.1575	2.1575	1.0893	1.0893
O6	2.3543	4.0377	1.4341	2.4022	1.4444		3.3530	2.6413	2.6413	2.0826	2.0826	2.6516	2.6516	2.0755	2.0755
H7	5.7068	7.3379	4.5797	1.0870	2.1592	3.3530		5.8554	5.8554	4.8238	4.8238	1.7643	1.7643	2.5130	2.5130
H8	1.0764	2.4038	2.1699	4.8440	4.0149	2.6413	5.8554		1.7760	3.0652	2.5014	4.9968	4.6737	4.2458	4.6003
H9	1.0764	2.4038	2.1699	4.8440	4.0149	2.6413	5.8554	1.7760		2.5014	3.0652	4.6737	4.9968	4.6003	4.2458
H10	2.1614	2.9612	1.0869	4.1050	2.7305	2.0826	4.8238	3.0652	2.5014		1.7671	4.2667	4.6166	3.0883	2.5334
H11	2.1614	2.9612	1.0869	4.1050	2.7305	2.0826	4.8238	2.5014	3.0652	1.7671		4.6166	4.2667	2.5334	3.0883
H12	4.8042	6.5670	4.0141	1.0846	2.1575	2.6516	1.7643	4.9968	4.6737	4.2667	4.6166		1.7591	3.0660	2.5088
H13	4.8042	6.5670	4.0141	1.0846	2.1575	2.6516	1.7643	4.6737	4.9968	4.6166	4.2667	1.7591		2.5088	3.0660
H14	4.0613	5.3812	2.7034	2.1703	1.0893	2.0755	2.5130	4.2458	4.6003	3.0883	2.5334	3.0660	2.5088		1.7656
H15	4.0613	5.3812	2.7034	2.1703	1.0893	2.0755	2.5130	4.6003	4.2458	2.5334	3.0883	2.5088	3.0660	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	105.447	C1	C3	H10	110.659
C1	C3	H11	110.659	Cl2	C1	C3	109.352
Cl2	C1	H8	105.992	Cl2	C1	H9	105.992
C3	C1	H8	111.980	C3	C1	H9	111.980
C3	O6	C5	116.417	C4	C5	O6	107.936
C4	C5	H14	111.096	C4	C5	H15	111.096
C5	C4	H7	110.347	C5	C4	H12	110.355
C5	C4	H13	110.355	O6	C3	H10	110.649
O6	C3	H11	110.649	O6	C5	H14	109.203
O6	C5	H15	109.203	H7	C4	H12	108.676
H7	C4	H13	108.676	H8	C1	H9	111.174
H10	C3	H11	108.764	H12	C4	H13	108.376
H14	C5	H15	108.276

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

using model chemistry: HF/CEP-121G

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	-0.375
2	Cl	-0.112
3	C	0.004
4	C	-0.433
5	C	-0.009
6	O	-0.454
7	H	0.138
8	H	0.205
9	H	0.205
10	H	0.140
11	H	0.140
12	H	0.155
13	H	0.155
14	H	0.121
15	H	0.121

	x	y	z	Total
	-1.717	2.591	0.000	3.108
CHELPG
AIM
ESP

	x	y	z
x	7.278	-0.802	0.000
y	-0.802	11.354	0.000
z	0.000	0.000	6.665

<r²>	243.377
(<r²>)^1/2	15.601

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

using model chemistry: HF/CEP-121G

States and conformations

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