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	hartrees
Energy at 0K	-693.242616
Energy at 298.15K	-693.252738
HF Energy	-693.242616
Nuclear repulsion energy	289.129864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3055	3015	28.12
2	A'	3032	2993	16.33
3	A'	2983	2945	22.23
4	A'	2918	2880	65.50
5	A'	2900	2862	39.51
6	A'	1498	1478	2.62
7	A'	1483	1463	2.88
8	A'	1471	1451	4.50
9	A'	1461	1442	1.80
10	A'	1409	1390	8.93
11	A'	1375	1357	4.93
12	A'	1350	1332	19.74
13	A'	1251	1235	18.41
14	A'	1125	1110	36.32
15	A'	1092	1078	244.91
16	A'	1044	1030	1.38
17	A'	1007	994	15.19
18	A'	873	862	16.95
19	A'	725	715	44.05
20	A'	469	463	0.25
21	A'	368	363	2.06
22	A'	259	256	2.83
23	A'	118	117	1.14
24	A"	3095	3054	7.81
25	A"	3059	3020	31.42
26	A"	2948	2910	31.52
27	A"	2927	2889	65.75
28	A"	1455	1436	6.22
29	A"	1273	1257	2.27
30	A"	1269	1253	0.42
31	A"	1188	1172	4.21
32	A"	1149	1134	2.72
33	A"	1034	1021	1.34
34	A"	806	796	0.61
35	A"	784	774	0.25
36	A"	237	234	0.61
37	A"	138	136	7.11
38	A"	70	69	1.48
39	A"	47	46	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	-1.374	-0.253	0.000
Cl2	-2.656	1.015	0.000
C3	0.000	0.398	0.000
C4	3.239	-1.363	0.000
C5	2.298	-0.172	0.000
O6	0.954	-0.650	0.000
H7	4.278	-1.020	0.000
H8	-1.523	-0.863	0.892
H9	-1.523	-0.863	-0.892
H10	0.116	1.036	-0.890
H11	0.116	1.036	0.890
H12	3.078	-1.983	-0.888
H13	3.078	-1.983	0.888
H14	2.465	0.459	0.889
H15	2.465	0.459	-0.889

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8034	1.5206	4.7448	3.6734	2.3619	5.7046	1.0907	1.0907	2.1626	2.1626	4.8586	4.8586	4.0051	4.0051
Cl2	1.8034		2.7272	6.3569	5.0948	3.9758	7.2274	2.3683	2.3683	2.9120	2.9120	6.5317	6.5317	5.2279	5.2279
C3	1.5206	2.7272		3.6866	2.3677	1.4168	4.5073	2.1691	2.1691	1.1020	1.1020	3.9913	3.9913	2.6214	2.6214
C4	4.7448	6.3569	3.6866		1.5178	2.3936	1.0949	4.8702	4.8702	4.0377	4.0377	1.0940	1.0940	2.1705	2.1705
C5	3.6734	5.0948	2.3677	1.5178		1.4265	2.1543	3.9843	3.9843	2.6486	2.6486	2.1620	2.1620	1.1032	1.1032
O6	2.3619	3.9758	1.4168	2.3936	1.4265		3.3450	2.6413	2.6413	2.0829	2.0829	2.6603	2.6603	2.0747	2.0747
H7	5.7046	7.2274	4.5073	1.0949	2.1543	3.3450		5.8717	5.8717	4.7275	4.7275	1.7758	1.7758	2.5035	2.5035
H8	1.0907	2.3683	2.1691	4.8702	3.9843	2.6413	5.8717		1.7830	3.0776	2.5092	5.0588	4.7356	4.2020	4.5636
H9	1.0907	2.3683	2.1691	4.8702	3.9843	2.6413	5.8717	1.7830		2.5092	3.0776	4.7356	5.0588	4.5636	4.2020
H10	2.1626	2.9120	1.1020	4.0377	2.6486	2.0829	4.7275	3.0776	2.5092		1.7810	4.2296	4.5882	3.0031	2.4191
H11	2.1626	2.9120	1.1020	4.0377	2.6486	2.0829	4.7275	2.5092	3.0776	1.7810		4.5882	4.2296	2.4191	3.0031
H12	4.8586	6.5317	3.9913	1.0940	2.1620	2.6603	1.7758	5.0588	4.7356	4.2296	4.5882		1.7752	3.0814	2.5177
H13	4.8586	6.5317	3.9913	1.0940	2.1620	2.6603	1.7758	4.7356	5.0588	4.5882	4.2296	1.7752		2.5177	3.0814
H14	4.0051	5.2279	2.6214	2.1705	1.1032	2.0747	2.5035	4.2020	4.5636	3.0031	2.4191	3.0814	2.5177		1.7779
H15	4.0051	5.2279	2.6214	2.1705	1.1032	2.0747	2.5035	4.5636	4.2020	2.4191	3.0031	2.5177	3.0814	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.342	C1	C3	H10	110.153
C1	C3	H11	110.153	Cl2	C1	C3	110.487
Cl2	C1	H8	107.461	Cl2	C1	H9	107.461
C3	C1	H8	110.950	C3	C1	H9	110.950
C3	O6	C5	113.293	C4	C5	O6	108.982
C4	C5	H14	110.859	C4	C5	H15	110.859
C5	C4	H7	110.427	C5	C4	H12	110.523
C5	C4	H13	110.523	O6	C3	H10	110.769
O6	C3	H11	110.769	O6	C5	H14	109.430
O6	C5	H15	109.430	H7	C4	H12	108.447
H7	C4	H13	108.447	H8	C1	H9	109.405
H10	C3	H11	107.673	H12	C4	H13	108.404
H14	C5	H15	107.252

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.282
2	Cl	-0.296
3	C	0.269
4	C	-0.412
5	C	0.180
6	O	-0.576
7	H	0.117
8	H	0.148
9	H	0.148
10	H	0.126
11	H	0.126
12	H	0.119
13	H	0.119
14	H	0.106
15	H	0.106

	x	y	z	Total
	2.058	-0.299	0.000	2.079
CHELPG
AIM
ESP

	x	y	z
x	13.652	-1.612	0.000
y	-1.612	10.433	0.000
z	0.000	0.000	9.040

<r²>	368.781
(<r²>)^1/2	19.204

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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