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	hartrees
Energy at 0K	-690.863519
Energy at 298.15K	-690.873768
HF Energy	-690.863519
Nuclear repulsion energy	292.456529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3097	3038	11.31
2	A'	3037	2979	11.63
3	A'	3005	2948	9.75
4	A'	2898	2843	56.07
5	A'	2887	2832	27.68
6	A'	1500	1471	4.38
7	A'	1476	1448	5.29
8	A'	1462	1434	6.69
9	A'	1453	1426	3.29
10	A'	1412	1385	14.07
11	A'	1366	1340	30.56
12	A'	1338	1313	16.63
13	A'	1246	1222	3.59
14	A'	1214	1191	241.28
15	A'	1150	1128	15.28
16	A'	1087	1067	6.32
17	A'	1072	1051	18.50
18	A'	901	884	7.41
19	A'	790	775	36.72
20	A'	474	465	0.76
21	A'	377	370	2.92
22	A'	264	259	3.62
23	A'	118	116	1.37
24	A"	3101	3042	3.77
25	A"	3092	3033	13.17
26	A"	2929	2874	14.78
27	A"	2913	2858	84.57
28	A"	1441	1414	9.31
29	A"	1258	1234	0.83
30	A"	1255	1231	2.26
31	A"	1191	1168	6.05
32	A"	1150	1128	4.14
33	A"	1038	1018	2.98
34	A"	801	786	2.99
35	A"	790	775	0.50
36	A"	253	248	0.74
37	A"	156	153	6.16
38	A"	88	87	2.06
39	A"	55	54	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	-1.354	-0.270	0.000
Cl2	-2.628	0.970	0.000
C3	0.000	0.384	0.000
C4	3.209	-1.294	0.000
C5	2.255	-0.137	0.000
O6	0.946	-0.638	0.000
H7	4.253	-0.941	0.000
H8	-1.481	-0.899	0.896
H9	-1.481	-0.899	-0.896
H10	0.106	1.040	-0.895
H11	0.106	1.040	0.895
H12	3.053	-1.922	-0.893
H13	3.053	-1.922	0.893
H14	2.415	0.511	0.893
H15	2.415	0.511	-0.893

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7775	1.5033	4.6764	3.6113	2.3293	5.6467	1.1016	1.1016	2.1556	2.1556	4.7902	4.7902	3.9509	3.9509
Cl2	1.7775		2.6922	6.2603	5.0065	3.9187	7.1408	2.3684	2.3684	2.8768	2.8768	6.4365	6.4365	5.1412	5.1412
C3	1.5033	2.6922		3.6212	2.3144	1.3922	4.4543	2.1538	2.1538	1.1150	1.1150	3.9286	3.9286	2.5778	2.5778
C4	4.6764	6.2603	3.6212		1.4997	2.3561	1.1023	4.7908	4.7908	3.9850	3.9850	1.1025	1.1025	2.1653	2.1653
C5	3.6113	5.0065	2.3144	1.4997		1.4012	2.1534	3.9163	3.9163	2.6090	2.6090	2.1494	2.1494	1.1152	1.1152
O6	2.3293	3.9187	1.3922	2.3561	1.4012		3.3205	2.6000	2.6000	2.0789	2.0789	2.6239	2.6239	2.0674	2.0674
H7	5.6467	7.1408	4.4543	1.1023	2.1534	3.3205		5.8033	5.8033	4.6823	4.6823	1.7891	1.7891	2.5069	2.5069
H8	1.1016	2.3684	2.1538	4.7908	3.9163	2.6000	5.8033		1.7911	3.0791	2.5048	4.9798	4.6477	4.1427	4.5124
H9	1.1016	2.3684	2.1538	4.7908	3.9163	2.6000	5.8033	1.7911		2.5048	3.0791	4.6477	4.9798	4.5124	4.1427
H10	2.1556	2.8768	1.1150	3.9850	2.6090	2.0789	4.6823	3.0791	2.5048		1.7904	4.1785	4.5450	2.9682	2.3688
H11	2.1556	2.8768	1.1150	3.9850	2.6090	2.0789	4.6823	2.5048	3.0791	1.7904		4.5450	4.1785	2.3688	2.9682
H12	4.7902	6.4365	3.9286	1.1025	2.1494	2.6239	1.7891	4.9798	4.6477	4.1785	4.5450		1.7854	3.0852	2.5157
H13	4.7902	6.4365	3.9286	1.1025	2.1494	2.6239	1.7891	4.6477	4.9798	4.5450	4.1785	1.7854		2.5157	3.0852
H14	3.9509	5.1412	2.5778	2.1653	1.1152	2.0674	2.5069	4.1427	4.5124	2.9682	2.3688	3.0852	2.5157		1.7865
H15	3.9509	5.1412	2.5778	2.1653	1.1152	2.0674	2.5069	4.5124	4.1427	2.3688	2.9682	2.5157	3.0852	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.048	C1	C3	H10	109.945
C1	C3	H11	109.945	Cl2	C1	C3	110.002
Cl2	C1	H8	108.397	Cl2	C1	H9	108.397
C3	C1	H8	110.601	C3	C1	H9	110.601
C3	O6	C5	111.887	C4	C5	O6	108.574
C4	C5	H14	110.948	C4	C5	H15	110.948
C5	C4	H7	110.781	C5	C4	H12	110.449
C5	C4	H13	110.449	O6	C3	H10	111.553
O6	C3	H11	111.553	O6	C5	H14	109.962
O6	C5	H15	109.962	H7	C4	H12	108.477
H7	C4	H13	108.477	H8	C1	H9	108.779
H10	C3	H11	106.817	H12	C4	H13	108.129
H14	C5	H15	106.439

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

using model chemistry: SVWN/6-31G*

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	-0.471
2	Cl	-0.052
3	C	-0.091
4	C	-0.552
5	C	-0.100
6	O	-0.387
7	H	0.180
8	H	0.232
9	H	0.232
10	H	0.164
11	H	0.164
12	H	0.192
13	H	0.192
14	H	0.150
15	H	0.150

	x	y	z	Total
	1.987	-0.432	0.000	2.034
CHELPG
AIM
ESP

	x	y	z
x	10.912	-1.448	0.000
y	-1.448	8.174	0.000
z	0.000	0.000	7.140

<r²>	358.497
(<r²>)^1/2	18.934

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

using model chemistry: SVWN/6-31G*

States and conformations

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