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	hartrees
Energy at 0K	-693.279467
Energy at 298.15K	-693.289758
Nuclear repulsion energy	289.628073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3121	3012	23.38
2	A'	3097	2989	13.70
3	A'	3046	2939	16.27
4	A'	2975	2871	51.60
5	A'	2957	2853	31.30
6	A'	1537	1484	2.15
7	A'	1517	1464	5.16
8	A'	1500	1447	3.04
9	A'	1490	1437	2.07
10	A'	1450	1399	9.99
11	A'	1406	1357	9.76
12	A'	1386	1338	30.60
13	A'	1274	1229	25.18
14	A'	1166	1125	191.20
15	A'	1146	1106	76.00
16	A'	1069	1032	1.70
17	A'	1041	1005	12.60
18	A'	901	870	13.10
19	A'	756	730	45.63
20	A'	476	460	0.39
21	A'	375	362	2.20
22	A'	263	254	2.87
23	A'	122	117	1.21
24	A"	3161	3050	6.71
25	A"	3123	3014	25.27
26	A"	3006	2901	34.69
27	A"	2984	2880	59.46
28	A"	1483	1431	4.33
29	A"	1298	1252	2.96
30	A"	1294	1249	0.09
31	A"	1218	1176	6.23
32	A"	1182	1140	2.41
33	A"	1054	1017	1.70
34	A"	822	793	0.58
35	A"	800	772	0.29
36	A"	246	238	0.80
37	A"	148	143	6.50
38	A"	89	85	2.01
39	A"	57	55	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-1.356	-0.280	0.000
Cl2	-2.680	0.946	0.000
C3	0.000	0.409	0.000
C4	3.252	-1.302	0.000
C5	2.299	-0.119	0.000
O6	0.971	-0.610	0.000
H7	4.289	-0.954	0.000
H8	-1.484	-0.896	0.890
H9	-1.484	-0.896	-0.890
H10	0.095	1.054	-0.888
H11	0.095	1.054	0.888
H12	3.093	-1.922	-0.886
H13	3.093	-1.922	0.886
H14	2.467	0.516	0.886
H15	2.467	0.516	-0.886

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8049	1.5211	4.7199	3.6587	2.3506	5.6854	1.0900	1.0900	2.1620	2.1620	4.8245	4.8245	4.0041	4.0041
Cl2	1.8049		2.7337	6.3438	5.0920	3.9693	7.2239	2.3703	2.3703	2.9161	2.9161	6.5072	6.5072	5.2404	5.2404
C3	1.5211	2.7337		3.6742	2.3587	1.4075	4.5004	2.1675	2.1675	1.1018	1.1018	3.9730	3.9730	2.6232	2.6232
C4	4.7199	6.3438	3.6742		1.5189	2.3832	1.0940	4.8358	4.8358	4.0375	4.0375	1.0936	1.0936	2.1693	2.1693
C5	3.6587	5.0920	2.3587	1.5189		1.4159	2.1583	3.9634	3.9634	2.6496	2.6496	2.1606	2.1606	1.1030	1.1030
O6	2.3506	3.9693	1.4075	2.3832	1.4159		3.3358	2.6272	2.6272	2.0796	2.0796	2.6474	2.6474	2.0713	2.0713
H7	5.6854	7.2239	4.5004	1.0940	2.1583	3.3358		5.8417	5.8417	4.7339	4.7339	1.7760	1.7760	2.5036	2.5036
H8	1.0900	2.3703	2.1675	4.8358	3.9634	2.6272	5.8417		1.7798	3.0754	2.5094	5.0156	4.6905	4.1955	4.5561
H9	1.0900	2.3703	2.1675	4.8358	3.9634	2.6272	5.8417	1.7798		2.5094	3.0754	4.6905	5.0156	4.5561	4.1955
H10	2.1620	2.9161	1.1018	4.0375	2.6496	2.0796	4.7339	3.0754	2.5094		1.7763	4.2240	4.5816	3.0103	2.4317
H11	2.1620	2.9161	1.1018	4.0375	2.6496	2.0796	4.7339	2.5094	3.0754	1.7763		4.5816	4.2240	2.4317	3.0103
H12	4.8245	6.5072	3.9730	1.0936	2.1606	2.6474	1.7760	5.0156	4.6905	4.2240	4.5816		1.7728	3.0789	2.5172
H13	4.8245	6.5072	3.9730	1.0936	2.1606	2.6474	1.7760	4.6905	5.0156	4.5816	4.2240	1.7728		2.5172	3.0789
H14	4.0041	5.2404	2.6232	2.1693	1.1030	2.0713	2.5036	4.1955	4.5561	3.0103	2.4317	3.0789	2.5172		1.7729
H15	4.0041	5.2404	2.6232	2.1693	1.1030	2.0713	2.5036	4.5561	4.1955	2.4317	3.0103	2.5172	3.0789	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.697	C1	C3	H10	110.003
C1	C3	H11	110.003	Cl2	C1	C3	110.269
Cl2	C1	H8	107.340	Cl2	C1	H9	107.340
C3	C1	H8	111.145	C3	C1	H9	111.145
C3	O6	C5	113.314	C4	C5	O6	108.541
C4	C5	H14	110.659	C4	C5	H15	110.659
C5	C4	H7	110.320	C5	C4	H12	110.530
C5	C4	H13	110.530	O6	C3	H10	111.360
O6	C3	H11	111.360	O6	C5	H14	110.008
O6	C5	H15	110.008	H7	C4	H12	108.549
H7	C4	H13	108.549	H8	C1	H9	109.456
H10	C3	H11	107.438	H12	C4	H13	108.296
H14	C5	H15	106.964

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.188
2	Cl	-0.186
3	C	-0.038
4	C	-0.385
5	C	-0.032
6	O	-0.248
7	H	0.118
8	H	0.156
9	H	0.156
10	H	0.105
11	H	0.105
12	H	0.128
13	H	0.128
14	H	0.090
15	H	0.090

	x	y	z	Total
	2.080	-0.388	0.000	2.116
CHELPG
AIM
ESP

	x	y	z
x	11.499	-1.463	0.000
y	-1.463	8.456	0.000
z	0.000	0.000	7.450

<r²>	367.110
(<r²>)^1/2	19.160

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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