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	hartrees
Energy at 0K	-693.220750
Energy at 298.15K	-693.230836
Nuclear repulsion energy	286.273789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3028	3017	31.36
2	A'	3024	3012	15.78
3	A'	2965	2954	20.44
4	A'	2897	2885	63.00
5	A'	2879	2868	37.63
6	A'	1495	1489	1.89
7	A'	1480	1474	2.79
8	A'	1467	1461	5.36
9	A'	1455	1449	1.74
10	A'	1402	1397	10.98
11	A'	1371	1366	5.84
12	A'	1343	1337	24.67
13	A'	1250	1245	27.17
14	A'	1114	1109	23.61
15	A'	1059	1055	233.22
16	A'	1029	1025	3.79
17	A'	980	976	14.32
18	A'	858	855	21.64
19	A'	698	695	51.63
20	A'	460	458	0.32
21	A'	359	358	2.33
22	A'	253	252	3.24
23	A'	118	117	1.47
24	A"	3084	3072	9.96
25	A"	3033	3021	33.66
26	A"	2924	2913	40.69
27	A"	2902	2891	70.48
28	A"	1448	1442	6.93
29	A"	1261	1256	1.81
30	A"	1258	1253	1.30
31	A"	1177	1173	4.31
32	A"	1142	1137	3.46
33	A"	1028	1024	4.10
34	A"	808	805	0.69
35	A"	789	786	0.59
36	A"	241	241	0.87
37	A"	138	137	7.04
38	A"	73	73	2.42
39	A"	52	52	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	-1.358	-0.282	0.000
Cl2	-2.722	0.951	0.000
C3	0.000	0.423	0.000
C4	3.285	-1.316	0.000
C5	2.337	-0.117	0.000
O6	0.985	-0.617	0.000
H7	4.331	-0.976	0.000
H8	-1.486	-0.895	0.896
H9	-1.486	-0.895	-0.896
H10	0.098	1.065	-0.895
H11	0.098	1.065	0.895
H12	3.120	-1.937	-0.891
H13	3.120	-1.937	0.891
H14	2.503	0.516	0.893
H15	2.503	0.516	-0.893

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8385	1.5294	4.7566	3.6985	2.3663	5.7311	1.0939	1.0939	2.1757	2.1757	4.8559	4.8559	4.0418	4.0418
Cl2	1.8385		2.7725	6.4205	5.1707	4.0247	7.3117	2.3957	2.3957	2.9607	2.9607	6.5770	6.5770	5.3183	5.3183
C3	1.5294	2.7725		3.7169	2.3990	1.4324	4.5517	2.1793	2.1793	1.1062	1.1062	4.0118	4.0118	2.6592	2.6592
C4	4.7566	6.4205	3.7169		1.5278	2.4042	1.0996	4.8730	4.8730	4.0778	4.0778	1.0986	1.0986	2.1826	2.1826
C5	3.6985	5.1707	2.3990	1.5278		1.4419	2.1711	4.0033	4.0033	2.6861	2.6861	2.1716	2.1716	1.1074	1.1074
O6	2.3663	4.0247	1.4324	2.4042	1.4419		3.3657	2.6431	2.6431	2.1020	2.1020	2.6633	2.6633	2.0943	2.0943
H7	5.7311	7.3117	4.5517	1.0996	2.1711	3.3657		5.8866	5.8866	4.7844	4.7844	1.7843	1.7843	2.5233	2.5233
H8	1.0939	2.3957	2.1793	4.8730	4.0033	2.6431	5.8866		1.7926	3.0923	2.5205	5.0489	4.7221	4.2312	4.5941
H9	1.0939	2.3957	2.1793	4.8730	4.0033	2.6431	5.8866	1.7926		2.5205	3.0923	4.7221	5.0489	4.5941	4.2312
H10	2.1757	2.9607	1.1062	4.0778	2.6861	2.1020	4.7844	3.0923	2.5205		1.7906	4.2595	4.6188	3.0471	2.4669
H11	2.1757	2.9607	1.1062	4.0778	2.6861	2.1020	4.7844	2.5205	3.0923	1.7906		4.6188	4.2595	2.4669	3.0471
H12	4.8559	6.5770	4.0118	1.0986	2.1716	2.6633	1.7843	5.0489	4.7221	4.2595	4.6188		1.7815	3.0949	2.5289
H13	4.8559	6.5770	4.0118	1.0986	2.1716	2.6633	1.7843	4.7221	5.0489	4.6188	4.2595	1.7815		2.5289	3.0949
H14	4.0418	5.3183	2.6592	2.1826	1.1074	2.0943	2.5233	4.2312	4.5941	3.0471	2.4669	3.0949	2.5289		1.7867
H15	4.0418	5.3183	2.6592	2.1826	1.1074	2.0943	2.5233	4.5941	4.2312	2.4669	3.0471	2.5289	3.0949	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.011	C1	C3	H10	110.245
C1	C3	H11	110.245	Cl2	C1	C3	110.479
Cl2	C1	H8	106.799	Cl2	C1	H9	106.799
C3	C1	H8	111.268	C3	C1	H9	111.268
C3	O6	C5	113.158	C4	C5	O6	108.075
C4	C5	H14	110.830	C4	C5	H15	110.830
C5	C4	H7	110.386	C5	C4	H12	110.488
C5	C4	H13	110.488	O6	C3	H10	111.143
O6	C3	H11	111.143	O6	C5	H14	109.778
O6	C5	H15	109.778	H7	C4	H12	108.530
H7	C4	H13	108.530	H8	C1	H9	110.038
H10	C3	H11	108.066	H12	C4	H13	108.352
H14	C5	H15	107.549

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

using model chemistry: BLYP/6-311G**

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	-0.288
2	Cl	-0.122
3	C	0.022
4	C	-0.291
5	C	-0.015
6	O	-0.355
7	H	0.101
8	H	0.168
9	H	0.168
10	H	0.105
11	H	0.105
12	H	0.111
13	H	0.111
14	H	0.090
15	H	0.090

	x	y	z	Total
	2.268	-0.313	0.000	2.290
CHELPG
AIM
ESP

	x	y	z
x	12.525	-1.812	0.000
y	-1.812	8.999	0.000
z	0.000	0.000	7.508

<r²>	376.345
(<r²>)^1/2	19.400

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

using model chemistry: BLYP/6-311G**

States and conformations

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