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	hartrees
Energy at 0K	-58.846264
Energy at 298.15K	-58.856388
Nuclear repulsion energy	134.572373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3089	3010	52.94
2	A'	3088	3009	8.60
3	A'	3001	2925	27.85
4	A'	2973	2898	56.61
5	A'	2947	2872	51.69
6	A'	1543	1503	3.76
7	A'	1530	1491	2.28
8	A'	1518	1480	8.66
9	A'	1499	1461	3.60
10	A'	1444	1407	13.95
11	A'	1427	1391	2.55
12	A'	1380	1345	26.35
13	A'	1286	1253	29.87
14	A'	1144	1115	22.45
15	A'	1089	1061	188.79
16	A'	1078	1051	15.64
17	A'	1008	982	20.91
18	A'	864	842	21.63
19	A'	691	673	57.64
20	A'	454	442	0.67
21	A'	353	344	3.70
22	A'	249	243	4.94
23	A'	113	110	2.15
24	A"	3178	3097	15.21
25	A"	3102	3023	49.45
26	A"	3031	2953	52.62
27	A"	2998	2921	61.05
28	A"	1502	1464	7.96
29	A"	1293	1260	1.31
30	A"	1284	1251	0.32
31	A"	1195	1164	6.93
32	A"	1166	1137	3.21
33	A"	1045	1018	2.27
34	A"	830	808	1.31
35	A"	811	790	0.31
36	A"	228	223	1.36
37	A"	139	136	11.89
38	A"	69	67	4.18
39	A"	54	53	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	1.275	-1.285	0.000
Cl2	1.208	-3.181	0.000
C3	-0.154	-0.728	0.000
C4	-0.944	2.962	0.000
C5	-1.275	1.464	0.000
O6	0.000	0.728	0.000
H7	-1.869	3.556	0.000
H8	1.823	-1.002	0.899
H9	1.823	-1.002	-0.899
H10	-0.701	-1.062	-0.896
H11	-0.701	-1.062	0.896
H12	-0.360	3.225	-0.889
H13	-0.360	3.225	0.889
H14	-1.857	1.184	0.895
H15	-1.857	1.184	-0.895

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8969	1.5333	4.7918	3.7491	2.3823	5.7714	1.0904	1.0904	2.1804	2.1804	4.8784	4.8784	4.0869	4.0869
Cl2	1.8969		2.8055	6.5088	5.2664	4.0907	7.4054	2.4360	2.4360	2.9890	2.9890	6.6541	6.6541	5.4076	5.4076
C3	1.5333	2.8055		3.7735	2.4616	1.4636	4.6137	2.1888	2.1888	1.1015	1.1015	4.0565	4.0565	2.7121	2.7121
C4	4.7918	6.5088	3.7735		1.5341	2.4258	1.0983	4.9171	4.9171	4.1295	4.1295	1.0962	1.0962	2.1899	2.1899
C5	3.7491	5.2664	2.4616	1.5341		1.4722	2.1742	4.0600	4.0600	2.7407	2.7407	2.1746	2.1746	1.1037	1.1037
O6	2.3823	4.0907	1.4636	2.4258	1.4722		3.3894	2.6687	2.6687	2.1203	2.1203	2.6749	2.6749	2.1113	2.1113
H7	5.7714	7.4054	4.6137	1.0983	2.1742	3.3894		5.9333	5.9333	4.8462	4.8462	1.7824	1.7824	2.5349	2.5349
H8	1.0904	2.4360	2.1888	4.9171	4.0600	2.6687	5.9333		1.7980	3.0973	2.5242	5.0818	4.7568	4.2801	4.6407
H9	1.0904	2.4360	2.1888	4.9171	4.0600	2.6687	5.9333	1.7980		2.5242	3.0973	4.7568	5.0818	4.6407	4.2801
H10	2.1804	2.9890	1.1015	4.1295	2.7407	2.1203	4.8462	3.0973	2.5242		1.7919	4.3001	4.6559	3.0962	2.5258
H11	2.1804	2.9890	1.1015	4.1295	2.7407	2.1203	4.8462	2.5242	3.0973	1.7919		4.6559	4.3001	2.5258	3.0962
H12	4.8784	6.6541	4.0565	1.0962	2.1746	2.6749	1.7824	5.0818	4.7568	4.3001	4.6559		1.7781	3.0969	2.5315
H13	4.8784	6.6541	4.0565	1.0962	2.1746	2.6749	1.7824	4.7568	5.0818	4.6559	4.3001	1.7781		2.5315	3.0969
H14	4.0869	5.4076	2.7121	2.1899	1.1037	2.1113	2.5349	4.2801	4.6407	3.0962	2.5258	3.0969	2.5315		1.7895
H15	4.0869	5.4076	2.7121	2.1899	1.1037	2.1113	2.5349	4.6407	4.2801	2.5258	3.0962	2.5315	3.0969	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	105.274	C1	C3	H10	110.623
C1	C3	H11	110.623	Cl2	C1	C3	109.290
Cl2	C1	H8	106.096	Cl2	C1	H9	106.096
C3	C1	H8	111.965	C3	C1	H9	111.965
C3	O6	C5	113.967	C4	C5	O6	107.569
C4	C5	H14	111.190	C4	C5	H15	111.190
C5	C4	H7	110.271	C5	C4	H12	110.426
C5	C4	H13	110.426	O6	C3	H10	110.719
O6	C3	H11	110.719	O6	C5	H14	109.267
O6	C5	H15	109.267	H7	C4	H12	108.631
H7	C4	H13	108.631	H8	C1	H9	111.071
H10	C3	H11	108.861	H12	C4	H13	108.398
H14	C5	H15	108.327

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

using model chemistry: B3LYP/CEP-121G

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	-0.448
2	Cl	-0.048
3	C	-0.084
4	C	-0.449
5	C	-0.098
6	O	-0.283
7	H	0.142
8	H	0.208
9	H	0.208
10	H	0.140
11	H	0.140
12	H	0.160
13	H	0.160
14	H	0.125
15	H	0.125

	x	y	z	Total
	-1.616	2.128	0.000	2.672
CHELPG
AIM
ESP

	x	y	z
x	8.267	-1.324	0.000
y	-1.324	12.518	0.000
z	0.000	0.000	7.245

<r²>	247.487
(<r²>)^1/2	15.732

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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