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	hartrees
Energy at 0K	-691.046489
Energy at 298.15K	-691.057168
HF Energy	-691.046489
Nuclear repulsion energy	291.636972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	2967	21.58
2	A'	3280	2947	43.80
3	A'	3215	2888	23.27
4	A'	3196	2872	57.34
5	A'	3173	2851	30.69
6	A'	1691	1519	0.39
7	A'	1673	1503	5.37
8	A'	1646	1479	5.38
9	A'	1642	1476	4.99
10	A'	1608	1445	12.84
11	A'	1565	1407	28.72
12	A'	1537	1381	33.68
13	A'	1422	1278	45.38
14	A'	1297	1165	283.00
15	A'	1266	1138	30.36
16	A'	1157	1040	0.79
17	A'	1133	1018	15.36
18	A'	985	885	15.96
19	A'	817	734	75.32
20	A'	514	462	0.93
21	A'	405	364	3.11
22	A'	286	257	3.70
23	A'	133	119	1.56
24	A"	3368	3026	11.31
25	A"	3291	2957	47.57
26	A"	3233	2904	59.22
27	A"	3204	2878	54.23
28	A"	1629	1464	3.55
29	A"	1434	1288	3.96
30	A"	1425	1281	0.43
31	A"	1342	1206	7.45
32	A"	1298	1166	4.24
33	A"	1174	1055	2.56
34	A"	891	800	0.01
35	A"	865	778	0.02
36	A"	275	247	1.56
37	A"	171	154	11.06
38	A"	94	84	2.14
39	A"	66	59	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.336	-0.291	0.000
Cl2	-2.684	0.892	0.000
C3	0.000	0.426	0.000
C4	3.238	-1.272	0.000
C5	2.295	-0.085	0.000
O6	0.978	-0.564	0.000
H7	4.270	-0.936	0.000
H8	-1.444	-0.903	0.880
H9	-1.444	-0.903	-0.880
H10	0.085	1.060	-0.879
H11	0.085	1.060	0.879
H12	3.074	-1.885	-0.879
H13	3.074	-1.885	0.879
H14	2.463	0.537	0.878
H15	2.463	0.537	-0.878

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7928	1.5166	4.6784	3.6373	2.3309	5.6433	1.0779	1.0779	2.1490	2.1490	4.7719	4.7719	3.9860	3.9860
Cl2	1.7928		2.7242	6.3050	5.0743	3.9412	7.1902	2.3525	2.3525	2.9103	2.9103	6.4534	6.4534	5.2333	5.2333
C3	1.5166	2.7242		3.6563	2.3515	1.3921	4.4819	2.1515	2.1515	1.0874	1.0874	3.9457	3.9457	2.6168	2.6168
C4	4.6784	6.3050	3.6563		1.5155	2.3679	1.0854	4.7784	4.7784	4.0192	4.0192	1.0840	1.0840	2.1547	2.1547
C5	3.6373	5.0743	2.3515	1.5155		1.4010	2.1500	3.9277	3.9277	2.6403	2.6403	2.1492	2.1492	1.0888	1.0888
O6	2.3309	3.9412	1.3921	2.3679	1.4010		3.3124	2.5998	2.5998	2.0517	2.0517	2.6291	2.6291	2.0457	2.0457
H7	5.6433	7.1902	4.4819	1.0854	2.1500	3.3124		5.7816	5.7816	4.7193	4.7193	1.7614	1.7614	2.4908	2.4908
H8	1.0779	2.3525	2.1515	4.7784	3.9277	2.5998	5.7816		1.7604	3.0480	2.4888	4.9475	4.6242	4.1640	4.5198
H9	1.0779	2.3525	2.1515	4.7784	3.9277	2.5998	5.7816	1.7604		2.4888	3.0480	4.6242	4.9475	4.5198	4.1640
H10	2.1490	2.9103	1.0874	4.0192	2.6403	2.0517	4.7193	3.0480	2.4888		1.7589	4.1968	4.5503	3.0027	2.4348
H11	2.1490	2.9103	1.0874	4.0192	2.6403	2.0517	4.7193	2.4888	3.0480	1.7589		4.5503	4.1968	2.4348	3.0027
H12	4.7719	6.4534	3.9457	1.0840	2.1492	2.6291	1.7614	4.9475	4.6242	4.1968	4.5503		1.7578	3.0537	2.4979
H13	4.7719	6.4534	3.9457	1.0840	2.1492	2.6291	1.7614	4.6242	4.9475	4.5503	4.1968	1.7578		2.4979	3.0537
H14	3.9860	5.2333	2.6168	2.1547	1.0888	2.0457	2.4908	4.1640	4.5198	3.0027	2.4348	3.0537	2.4979		1.7554
H15	3.9860	5.2333	2.6168	2.1547	1.0888	2.0457	2.4908	4.5198	4.1640	2.4348	3.0027	2.4979	3.0537	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.440	C1	C3	H10	110.142
C1	C3	H11	110.142	Cl2	C1	C3	110.532
Cl2	C1	H8	107.438	Cl2	C1	H9	107.438
C3	C1	H8	110.913	C3	C1	H9	110.913
C3	O6	C5	114.686	C4	C5	O6	108.500
C4	C5	H14	110.585	C4	C5	H15	110.585
C5	C4	H7	110.422	C5	C4	H12	110.432
C5	C4	H13	110.432	O6	C3	H10	111.088
O6	C3	H11	111.088	O6	C5	H14	109.865
O6	C5	H15	109.865	H7	C4	H12	108.573
H7	C4	H13	108.573	H8	C1	H9	109.483
H10	C3	H11	107.955	H12	C4	H13	108.345
H14	C5	H15	107.437

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

using model chemistry: HF/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	-0.393
2	Cl	-0.112
3	C	0.030
4	C	-0.491
5	C	0.019
6	O	-0.628
7	H	0.161
8	H	0.226
9	H	0.226
10	H	0.162
11	H	0.162
12	H	0.176
13	H	0.176
14	H	0.144
15	H	0.144

	x	y	z	Total
	2.369	-0.209	0.000	2.378
CHELPG	2.378	-0.258	0.000	2.391
AIM
ESP	2.388	-0.266	0.000	2.403

	x	y	z
x	9.817	-1.308	0.001
y	-1.308	7.478	-0.001
z	0.001	-0.001	6.622

<r²>	363.614
(<r²>)^1/2	19.069

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

using model chemistry: HF/6-31G*

States and conformations

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