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	hartrees
Energy at 0K	-693.256420
Energy at 298.15K
HF Energy	-693.256420
Nuclear repulsion energy	290.668055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3005	26.67
2	A'	3124	2988	15.89
3	A'	3061	2928	18.70
4	A'	2996	2866	59.95
5	A'	2984	2854	31.05
6	A'	1533	1466	4.31
7	A'	1514	1449	3.65
8	A'	1499	1434	4.38
9	A'	1491	1426	4.39
10	A'	1461	1397	8.79
11	A'	1414	1352	31.17
12	A'	1389	1329	9.56
13	A'	1297	1241	20.52
14	A'	1196	1144	251.34
15	A'	1166	1116	25.66
16	A'	1089	1042	3.18
17	A'	1064	1018	15.82
18	A'	915	875	13.68
19	A'	778	744	49.19
20	A'	486	465	0.78
21	A'	383	367	2.59
22	A'	268	257	3.19
23	A'	120	115	1.42
24	A"	3192	3053	7.49
25	A"	3147	3010	28.30
26	A"	3035	2903	31.78
27	A"	3018	2887	69.30
28	A"	1483	1418	7.90
29	A"	1312	1255	5.11
30	A"	1304	1248	0.20
31	A"	1225	1172	4.21
32	A"	1181	1130	5.00
33	A"	1064	1018	4.18
34	A"	822	786	0.81
35	A"	804	769	0.24
36	A"	231	221	1.38
37	A"	142	136	8.24
38	A"	55	52	0.01
39	A"	51i	48i	2.19

Atom	x (Å)	y (Å)	z (Å)
C1	-1.353	-0.275	0.000
Cl2	-2.677	0.940	0.000
C3	0.000	0.409	0.000
C4	3.247	-1.294	0.000
C5	2.296	-0.116	0.000
O6	0.969	-0.611	0.000
H7	4.284	-0.950	0.000
H8	-1.472	-0.891	0.889
H9	-1.472	-0.891	-0.889
H10	0.103	1.047	-0.889
H11	0.103	1.047	0.889
H12	3.084	-1.911	-0.886
H13	3.084	-1.911	0.886
H14	2.454	0.514	0.887
H15	2.454	0.514	-0.887

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7968	1.5162	4.7117	3.6524	2.3466	5.6777	1.0880	1.0880	2.1581	2.1581	4.8114	4.8114	3.9880	3.9880
Cl2	1.7968		2.7292	6.3312	5.0837	3.9625	7.2133	2.3650	2.3650	2.9206	2.9206	6.4885	6.4885	5.2245	5.2245
C3	1.5162	2.7292		3.6663	2.3550	1.4072	4.4945	2.1556	2.1556	1.0991	1.0991	3.9593	3.9593	2.6115	2.6115
C4	4.7117	6.3312	3.6663		1.5138	2.3779	1.0928	4.8190	4.8190	4.0192	4.0192	1.0916	1.0916	2.1644	2.1644
C5	3.6524	5.0837	2.3550	1.5138		1.4161	2.1562	3.9480	3.9480	2.6366	2.6366	2.1508	2.1508	1.0998	1.0998
O6	2.3466	3.9625	1.4072	2.3779	1.4161		3.3324	2.6130	2.6130	2.0714	2.0714	2.6354	2.6354	2.0637	2.0637
H7	5.6777	7.2133	4.4945	1.0928	2.1562	3.3324		5.8249	5.8249	4.7181	4.7181	1.7743	1.7743	2.5061	2.5061
H8	1.0880	2.3650	2.1556	4.8190	3.9480	2.6130	5.8249		1.7781	3.0653	2.4968	4.9950	4.6690	4.1698	4.5324
H9	1.0880	2.3650	2.1556	4.8190	3.9480	2.6130	5.8249	1.7781		2.4968	3.0653	4.6690	4.9950	4.5324	4.1698
H10	2.1581	2.9206	1.0991	4.0192	2.6366	2.0714	4.7181	3.0653	2.4968		1.7783	4.1992	4.5589	2.9945	2.4107
H11	2.1581	2.9206	1.0991	4.0192	2.6366	2.0714	4.7181	2.4968	3.0653	1.7783		4.5589	4.1992	2.4107	2.9945
H12	4.8114	6.4885	3.9593	1.0916	2.1508	2.6354	1.7743	4.9950	4.6690	4.1992	4.5589		1.7717	3.0692	2.5052
H13	4.8114	6.4885	3.9593	1.0916	2.1508	2.6354	1.7743	4.6690	4.9950	4.5589	4.1992	1.7717		2.5052	3.0692
H14	3.9880	5.2245	2.6115	2.1644	1.0998	2.0637	2.5061	4.1698	4.5324	2.9945	2.4107	3.0692	2.5052		1.7746
H15	3.9880	5.2245	2.6115	2.1644	1.0998	2.0637	2.5061	4.5324	4.1698	2.4107	2.9945	2.5052	3.0692	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.717	C1	C3	H10	110.197
C1	C3	H11	110.197	Cl2	C1	C3	110.651
Cl2	C1	H8	107.587	Cl2	C1	H9	107.587
C3	C1	H8	110.659	C3	C1	H9	110.659
C3	O6	C5	113.051	C4	C5	O6	108.458
C4	C5	H14	110.818	C4	C5	H15	110.818
C5	C4	H7	110.586	C5	C4	H12	110.228
C5	C4	H13	110.228	O6	C3	H10	110.877
O6	C3	H11	110.877	O6	C5	H14	109.584
O6	C5	H15	109.584	H7	C4	H12	108.629
H7	C4	H13	108.629	H8	C1	H9	109.600
H10	C3	H11	107.991	H12	C4	H13	108.484
H14	C5	H15	107.566

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

using model chemistry: wB97X-D/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	-0.324
2	Cl	-0.112
3	C	0.000
4	C	-0.335
5	C	-0.035
6	O	-0.367
7	H	0.116
8	H	0.184
9	H	0.184
10	H	0.117
11	H	0.117
12	H	0.126
13	H	0.126
14	H	0.101
15	H	0.101

	x	y	z	Total
	2.244	-0.265	0.000	2.260
CHELPG
AIM
ESP

	x	y	z
x	11.311	-1.570	0.000
y	-1.570	8.518	0.000
z	0.000	0.000	7.206

<r²>	364.872
(<r²>)^1/2	19.102

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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