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	hartrees
Energy at 0K	-688.107202
Energy at 298.15K	-688.117479
HF Energy	-687.577163
Nuclear repulsion energy	283.492317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3043	6.17
2	A'	3178	3033	18.06
3	A'	3102	2961	10.94
4	A'	3061	2922	21.59
5	A'	3044	2906	29.80
6	A'	1635	1560	0.89
7	A'	1621	1547	5.20
8	A'	1605	1532	6.28
9	A'	1575	1503	5.17
10	A'	1493	1425	10.39
11	A'	1486	1418	3.33
12	A'	1422	1358	41.43
13	A'	1306	1247	31.94
14	A'	1175	1121	21.86
15	A'	1102	1052	124.50
16	A'	1071	1022	8.03
17	A'	1000	955	3.93
18	A'	877	837	13.86
19	A'	700	668	49.97
20	A'	461	440	1.52
21	A'	357	341	4.64
22	A'	255	243	4.29
23	A'	116	111	2.12
24	A"	3266	3117	2.96
25	A"	3190	3045	20.19
26	A"	3104	2963	34.91
27	A"	3080	2940	46.63
28	A"	1589	1517	5.31
29	A"	1360	1298	0.03
30	A"	1350	1288	0.00
31	A"	1241	1184	6.89
32	A"	1212	1157	1.89
33	A"	1065	1017	1.26
34	A"	877	837	1.12
35	A"	842	804	1.07
36	A"	255	243	1.35
37	A"	149	142	9.86
38	A"	90	86	4.09
39	A"	56	54	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.334	-0.298	0.000
Cl2	-2.748	0.981	0.000
C3	0.000	0.442	0.000
C4	3.285	-1.351	0.000
C5	2.372	-0.119	0.000
O6	0.992	-0.641	0.000
H7	4.338	-1.052	0.000
H8	-1.460	-0.895	0.899
H9	-1.460	-0.895	-0.899
H10	0.090	1.075	-0.892
H11	0.090	1.075	0.892
H12	3.081	-1.954	-0.888
H13	3.081	-1.954	0.888
H14	2.546	0.502	0.891
H15	2.546	0.502	-0.891

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.9068	1.5254	4.7375	3.7103	2.3511	5.7215	1.0865	1.0865	2.1698	2.1698	4.7981	4.7981	4.0603	4.0603
Cl2	1.9068		2.8007	6.4684	5.2371	4.0769	7.3718	2.4468	2.4468	2.9764	2.9764	6.5865	6.5865	5.3899	5.3899
C3	1.5254	2.8007		3.7426	2.4374	1.4688	4.5876	2.1744	2.1744	1.0978	1.0978	4.0027	4.0027	2.6978	2.6978
C4	4.7375	6.4684	3.7426		1.5340	2.4004	1.0946	4.8510	4.8510	4.1104	4.1104	1.0928	1.0928	2.1850	2.1850
C5	3.7103	5.2371	2.4374	1.5340		1.4757	2.1759	4.0121	4.0121	2.7260	2.7260	2.1589	2.1589	1.0993	1.0993
O6	2.3511	4.0769	1.4688	2.4004	1.4757		3.3708	2.6240	2.6240	2.1346	2.1346	2.6222	2.6222	2.1248	2.1248
H7	5.7215	7.3718	4.5876	1.0946	2.1759	3.3708		5.8692	5.8692	4.8338	4.8338	1.7843	1.7843	2.5332	2.5332
H8	1.0865	2.4468	2.1744	4.8510	4.0121	2.6240	5.8692		1.7972	3.0810	2.5070	4.9935	4.6628	4.2428	4.6046
H9	1.0865	2.4468	2.1744	4.8510	4.0121	2.6240	5.8692	1.7972		2.5070	3.0810	4.6628	4.9935	4.6046	4.2428
H10	2.1698	2.9764	1.0978	4.1104	2.7260	2.1346	4.8338	3.0810	2.5070		1.7846	4.2574	4.6147	3.0888	2.5223
H11	2.1698	2.9764	1.0978	4.1104	2.7260	2.1346	4.8338	2.5070	3.0810	1.7846		4.6147	4.2574	2.5223	3.0888
H12	4.7981	6.5865	4.0027	1.0928	2.1589	2.6222	1.7843	4.9935	4.6628	4.2574	4.6147		1.7765	3.0795	2.5139
H13	4.7981	6.5865	4.0027	1.0928	2.1589	2.6222	1.7843	4.6628	4.9935	4.6147	4.2574	1.7765		2.5139	3.0795
H14	4.0603	5.3899	2.6978	2.1850	1.0993	2.1248	2.5332	4.2428	4.6046	3.0888	2.5223	3.0795	2.5139		1.7811
H15	4.0603	5.3899	2.6978	2.1850	1.0993	2.1248	2.5332	4.6046	4.2428	2.5223	3.0888	2.5139	3.0795	1.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	103.469	C1	C3	H10	110.557
C1	C3	H11	110.557	Cl2	C1	C3	108.871
Cl2	C1	H8	106.414	Cl2	C1	H9	106.414
C3	C1	H8	111.616	C3	C1	H9	111.616
C3	O6	C5	111.742	C4	C5	O6	105.780
C4	C5	H14	111.074	C4	C5	H15	111.074
C5	C4	H7	110.624	C5	C4	H12	109.401
C5	C4	H13	109.401	O6	C3	H10	111.734
O6	C3	H11	111.734	O6	C5	H14	110.356
O6	C5	H15	110.356	H7	C4	H12	109.318
H7	C4	H13	109.318	H8	C1	H9	111.599
H10	C3	H11	108.735	H12	C4	H13	108.749
H14	C5	H15	108.211

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.502	-0.161
2	Cl	-0.072	-0.221
3	C	-0.087	0.180
4	C	-0.556	-0.297
5	C	-0.104	0.324
6	O	-0.499	-0.439
7	H	0.182	0.073
8	H	0.255	0.152
9	H	0.255	0.152
10	H	0.190	0.041
11	H	0.190	0.041
12	H	0.202	0.090
13	H	0.202	0.090
14	H	0.172	-0.013
15	H	0.172	-0.013

	x	y	z	Total
	2.620	-0.274	0.000	2.634
CHELPG
AIM
ESP	2.629	-0.336	0.000	2.651

	x	y	z
x	10.347	-1.901	0.000
y	-1.901	7.320	0.000
z	0.000	0.000	6.031

<r²>	381.939
(<r²>)^1/2	19.543

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

using model chemistry: MP2/3-21G

States and conformations

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