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	hartrees
Energy at 0K	-693.369891
Energy at 298.15K	-693.380191
HF Energy	-693.369891
Nuclear repulsion energy	289.017673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3108	3000	27.50
2	A'	3105	2998	13.17
3	A'	3042	2937	17.79
4	A'	2986	2883	54.29
5	A'	2968	2865	36.25
6	A'	1537	1484	2.45
7	A'	1520	1468	4.85
8	A'	1504	1452	5.02
9	A'	1498	1446	2.43
10	A'	1452	1402	8.40
11	A'	1416	1367	10.90
12	A'	1393	1345	21.25
13	A'	1293	1248	25.49
14	A'	1157	1117	51.68
15	A'	1130	1091	217.05
16	A'	1073	1035	1.31
17	A'	1031	996	16.16
18	A'	898	867	17.72
19	A'	742	716	49.17
20	A'	478	461	0.38
21	A'	375	362	2.54
22	A'	264	254	3.28
23	A'	123	119	1.46
24	A"	3168	3058	6.79
25	A"	3115	3007	28.41
26	A"	3018	2914	35.27
27	A"	2995	2891	56.96
28	A"	1487	1435	6.78
29	A"	1305	1260	2.50
30	A"	1301	1256	0.57
31	A"	1219	1177	4.74
32	A"	1180	1140	3.46
33	A"	1060	1023	2.05
34	A"	830	801	0.54
35	A"	810	782	0.18
36	A"	251	242	0.88
37	A"	147	142	8.24
38	A"	83	80	2.41
39	A"	55	54	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-1.389	-0.218	0.000
Cl2	-2.658	1.046	0.000
C3	0.000	0.410	0.000
C4	3.232	-1.426	0.000
C5	2.316	-0.208	0.000
O6	0.954	-0.647	0.000
H7	4.276	-1.107	0.000
H8	-1.522	-0.840	0.884
H9	-1.522	-0.840	-0.884
H10	0.117	1.042	-0.887
H11	0.117	1.042	0.887
H12	3.056	-2.034	-0.888
H13	3.056	-2.034	0.888
H14	2.505	0.406	0.889
H15	2.505	0.406	-0.889

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7917	1.5243	4.7764	3.7052	2.3821	5.7341	1.0888	1.0888	2.1553	2.1553	4.8826	4.8826	4.0426	4.0426
Cl2	1.7917		2.7330	6.3880	5.1299	3.9895	7.2604	2.3728	2.3728	2.9135	2.9135	6.5516	6.5516	5.2780	5.2780
C3	1.5243	2.7330		3.7172	2.3973	1.4240	4.5369	2.1582	2.1582	1.0961	1.0961	4.0123	4.0123	2.6583	2.6583
C4	4.7764	6.3880	3.7172		1.5240	2.4075	1.0913	4.8710	4.8710	4.0723	4.0723	1.0907	1.0907	2.1618	2.1618
C5	3.7052	5.1299	2.3973	1.5240		1.4313	2.1559	3.9889	3.9889	2.6808	2.6808	2.1611	2.1611	1.0967	1.0967
O6	2.3821	3.9895	1.4240	2.4075	1.4313		3.3533	2.6361	2.6361	2.0840	2.0840	2.6698	2.6698	2.0747	2.0747
H7	5.7341	7.2604	4.5369	1.0913	2.1559	3.3533		5.8707	5.8707	4.7646	4.7646	1.7713	1.7713	2.4927	2.4927
H8	1.0888	2.3728	2.1582	4.8710	3.9889	2.6361	5.8707		1.7687	3.0604	2.4955	5.0518	4.7307	4.2147	4.5728
H9	1.0888	2.3728	2.1582	4.8710	3.9889	2.6361	5.8707	1.7687		2.4955	3.0604	4.7307	5.0518	4.5728	4.2147
H10	2.1553	2.9135	1.0961	4.0723	2.6808	2.0840	4.7646	3.0604	2.4955		1.7746	4.2544	4.6100	3.0437	2.4714
H11	2.1553	2.9135	1.0961	4.0723	2.6808	2.0840	4.7646	2.4955	3.0604	1.7746		4.6100	4.2544	2.4714	3.0437
H12	4.8826	6.5516	4.0123	1.0907	2.1611	2.6698	1.7713	5.0518	4.7307	4.2544	4.6100		1.7759	3.0682	2.5009
H13	4.8826	6.5516	4.0123	1.0907	2.1611	2.6698	1.7713	4.7307	5.0518	4.6100	4.2544	1.7759		2.5009	3.0682
H14	4.0426	5.2780	2.6583	2.1618	1.0967	2.0747	2.4927	4.2147	4.5728	3.0437	2.4714	3.0682	2.5009		1.7788
H15	4.0426	5.2780	2.6583	2.1618	1.0967	2.0747	2.4927	4.5728	4.2147	2.4714	3.0437	2.5009	3.0682	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.742	C1	C3	H10	109.593
C1	C3	H11	109.593	Cl2	C1	C3	110.761
Cl2	C1	H8	108.444	Cl2	C1	H9	108.444
C3	C1	H8	110.252	C3	C1	H9	110.252
C3	O6	C5	114.192	C4	C5	O6	109.062
C4	C5	H14	110.088	C4	C5	H15	110.088
C5	C4	H7	109.944	C5	C4	H12	110.389
C5	C4	H13	110.389	O6	C3	H10	110.905
O6	C3	H11	110.905	O6	C5	H14	109.601
O6	C5	H15	109.601	H7	C4	H12	108.537
H7	C4	H13	108.537	H8	C1	H9	108.623
H10	C3	H11	108.094	H12	C4	H13	108.997
H14	C5	H15	108.388

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

using model chemistry: B3LYP/TZVP

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	-0.174
2	Cl	-0.142
3	C	-0.088
4	C	-0.319
5	C	-0.068
6	O	-0.271
7	H	0.109
8	H	0.156
9	H	0.156
10	H	0.105
11	H	0.105
12	H	0.120
13	H	0.120
14	H	0.096
15	H	0.096

	x	y	z	Total
	2.146	-0.214	0.000	2.157
CHELPG
AIM
ESP

	x	y	z
x	11.897	-1.570	0.000
y	-1.570	9.090	0.000
z	0.000	0.000	7.889

<r²>	369.564
(<r²>)^1/2	19.224

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

using model chemistry: B3LYP/TZVP

States and conformations

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