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	hartrees
Energy at 0K	-247.971450
Energy at 298.15K	-247.981576
Nuclear repulsion energy	222.083195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3024	20.09
2	A'	3144	3022	38.18
3	A'	3054	2935	24.15
4	A'	3022	2905	59.89
5	A'	2998	2882	51.73
6	A'	1544	1484	5.67
7	A'	1532	1473	1.90
8	A'	1523	1464	10.96
9	A'	1509	1451	5.30
10	A'	1451	1395	9.88
11	A'	1438	1382	10.42
12	A'	1389	1335	21.47
13	A'	1298	1248	16.23
14	A'	1155	1111	26.27
15	A'	1104	1061	148.17
16	A'	1095	1053	24.78
17	A'	1019	979	19.49
18	A'	867	834	16.45
19	A'	696	669	52.39
20	A'	460	442	0.71
21	A'	358	345	4.50
22	A'	254	244	4.96
23	A'	117	112	2.02
24	A"	3233	3107	15.73
25	A"	3156	3034	45.33
26	A"	3076	2956	50.85
27	A"	3047	2928	60.27
28	A"	1505	1446	10.38
29	A"	1300	1250	0.74
30	A"	1291	1241	0.10
31	A"	1202	1155	7.46
32	A"	1170	1125	3.62
33	A"	1049	1009	0.58
34	A"	840	808	5.61
35	A"	826	794	1.17
36	A"	236	227	1.16
37	A"	142	137	13.17
38	A"	71	68	4.32
39	A"	55	53	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	1.427	-1.296	0.000
Cl2	1.510	-3.179	0.000
C3	-0.034	-0.860	0.000
C4	-1.127	2.732	0.000
C5	-1.326	1.219	0.000
O6	0.000	0.597	0.000
H7	-2.097	3.246	0.000
H8	1.950	-0.967	0.898
H9	1.950	-0.967	-0.898
H10	-0.553	-1.239	-0.894
H11	-0.553	-1.239	0.894
H12	-0.566	3.044	-0.888
H13	-0.566	3.044	0.888
H14	-1.885	0.892	0.893
H15	-1.885	0.892	-0.893

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8857	1.5247	4.7691	3.7282	2.3700	5.7484	1.0899	1.0899	2.1735	2.1735	4.8569	4.8569	4.0686	4.0686
Cl2	1.8857		2.7871	6.4733	5.2335	4.0672	7.3689	2.4278	2.4278	2.9705	2.9705	6.6203	6.6203	5.3764	5.3764
C3	1.5247	2.7871		3.7543	2.4470	1.4568	4.5947	2.1805	2.1805	1.1017	1.1017	4.0382	4.0382	2.7005	2.7005
C4	4.7691	6.4733	3.7543		1.5265	2.4145	1.0978	4.8946	4.8946	4.1111	4.1111	1.0958	1.0958	2.1816	2.1816
C5	3.7282	5.2335	2.4470	1.5265		1.4647	2.1690	4.0392	4.0392	2.7274	2.7274	2.1674	2.1674	1.1034	1.1034
O6	2.3700	4.0672	1.4568	2.4145	1.4647		3.3788	2.6559	2.6559	2.1160	2.1160	2.6639	2.6639	2.1071	2.1071
H7	5.7484	7.3689	4.5947	1.0978	2.1690	3.3788		5.9105	5.9105	4.8270	4.8270	1.7818	1.7818	2.5267	2.5267
H8	1.0899	2.4278	2.1805	4.8946	4.0392	2.6559	5.9105		1.7956	3.0908	2.5181	5.0601	4.7345	4.2621	4.6231
H9	1.0899	2.4278	2.1805	4.8946	4.0392	2.6559	5.9105	1.7956		2.5181	3.0908	4.7345	5.0601	4.6231	4.2621
H10	2.1735	2.9705	1.1017	4.1111	2.7274	2.1160	4.8270	3.0908	2.5181		1.7890	4.2830	4.6392	3.0842	2.5132
H11	2.1735	2.9705	1.1017	4.1111	2.7274	2.1160	4.8270	2.5181	3.0908	1.7890		4.6392	4.2830	2.5132	3.0842
H12	4.8569	6.6203	4.0382	1.0958	2.1674	2.6639	1.7818	5.0601	4.7345	4.2830	4.6392		1.7763	3.0895	2.5242
H13	4.8569	6.6203	4.0382	1.0958	2.1674	2.6639	1.7818	4.7345	5.0601	4.6392	4.2830	1.7763		2.5242	3.0895
H14	4.0686	5.3764	2.7005	2.1816	1.1034	2.1071	2.5267	4.2621	4.6231	3.0842	2.5132	3.0895	2.5242		1.7865
H15	4.0686	5.3764	2.7005	2.1816	1.1034	2.1071	2.5267	4.6231	4.2621	2.5132	3.0842	2.5242	3.0895	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	105.269	C1	C3	H10	110.670
C1	C3	H11	110.670	Cl2	C1	C3	109.162
Cl2	C1	H8	106.256	Cl2	C1	H9	106.256
C3	C1	H8	111.949	C3	C1	H9	111.949
C3	O6	C5	113.773	C4	C5	O6	107.631
C4	C5	H14	111.080	C4	C5	H15	111.080
C5	C4	H7	110.416	C5	C4	H12	110.409
C5	C4	H13	110.409	O6	C3	H10	110.831
O6	C3	H11	110.831	O6	C5	H14	109.466
O6	C5	H15	109.466	H7	C4	H12	108.630
H7	C4	H13	108.630	H8	C1	H9	110.930
H10	C3	H11	108.563	H12	C4	H13	108.284
H14	C5	H15	108.102

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

using model chemistry: B3LYP/LANL2DZ

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	-0.523
2	Cl	-0.105
3	C	-0.136
4	C	-0.625
5	C	-0.161
6	O	-0.330
7	H	0.188
8	H	0.260
9	H	0.260
10	H	0.194
11	H	0.194
12	H	0.214
13	H	0.214
14	H	0.178
15	H	0.178

	x	y	z	Total
	-1.918	1.883	0.000	2.688
CHELPG
AIM
ESP

	x	y	z
x	7.102	-1.510	0.000
y	-1.510	10.910	0.000
z	0.000	0.000	5.980

<r²>	279.061
(<r²>)^1/2	16.705

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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