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	hartrees
Energy at 0K	-693.225801
Energy at 298.15K	-693.236115
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3027	21.70
2	A'	3125	2993	13.16
3	A'	3072	2943	17.40
4	A'	3012	2886	53.64
5	A'	2998	2871	36.66
6	A'	1507	1443	3.91
7	A'	1493	1430	2.81
8	A'	1475	1413	3.72
9	A'	1471	1409	2.91
10	A'	1433	1373	11.18
11	A'	1387	1329	17.46
12	A'	1361	1304	12.30
13	A'	1258	1205	12.86
14	A'	1185	1135	249.08
15	A'	1156	1108	19.74
16	A'	1094	1047	6.15
17	A'	1070	1025	16.91
18	A'	907	869	11.53
19	A'	776	744	43.00
20	A'	476	456	0.50
21	A'	376	360	2.26
22	A'	265	253	2.98
23	A'	122	117	1.31
24	A"	3197	3063	4.32
25	A"	3161	3028	24.24
26	A"	3055	2926	25.78
27	A"	3034	2906	55.79
28	A"	1458	1396	6.50
29	A"	1289	1235	3.17
30	A"	1283	1229	0.00
31	A"	1204	1153	4.76
32	A"	1166	1116	2.74
33	A"	1048	1004	1.28
34	A"	815	780	0.89
35	A"	794	761	0.22
36	A"	245	235	0.63
37	A"	146	140	7.01
38	A"	89	85	2.22
39	A"	56	53	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	-1.367	-0.254	0.000
Cl2	-2.632	1.015	0.000
C3	0.000	0.389	0.000
C4	3.214	-1.353	0.000
C5	2.275	-0.173	0.000
O6	0.945	-0.650	0.000
H7	4.253	-1.006	0.000
H8	-1.515	-0.864	0.893
H9	-1.515	-0.864	-0.893
H10	0.116	1.027	-0.891
H11	0.116	1.027	0.891
H12	3.055	-1.972	-0.888
H13	3.055	-1.972	0.888
H14	2.441	0.459	0.889
H15	2.441	0.459	-0.889

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7920	1.5106	4.7106	3.6429	2.3453	5.6696	1.0915	1.0915	2.1527	2.1527	4.8257	4.8257	3.9742	3.9742
Cl2	1.7920		2.7052	6.3072	5.0490	3.9454	7.1752	2.3608	2.3608	2.8888	2.8888	6.4844	6.4844	5.1798	5.1798
C3	1.5106	2.7052		3.6559	2.3438	1.4050	4.4760	2.1599	2.1599	1.1018	1.1018	3.9619	3.9619	2.5984	2.5984
C4	4.7106	6.3072	3.6559		1.5078	2.3754	1.0952	4.8378	4.8378	4.0070	4.0070	1.0946	1.0946	2.1612	2.1612
C5	3.6429	5.0490	2.3438	1.5078		1.4135	2.1459	3.9555	3.9555	2.6262	2.6262	2.1527	2.1527	1.1029	1.1029
O6	2.3453	3.9454	1.4050	2.3754	1.4135		3.3270	2.6261	2.6261	2.0724	2.0724	2.6433	2.6433	2.0634	2.0634
H7	5.6696	7.1752	4.4760	1.0952	2.1459	3.3270		5.8387	5.8387	4.6949	4.6949	1.7771	1.7771	2.4941	2.4941
H8	1.0915	2.3608	2.1599	4.8378	3.9555	2.6261	5.8387		1.7860	3.0693	2.4977	5.0286	4.7025	4.1715	4.5361
H9	1.0915	2.3608	2.1599	4.8378	3.9555	2.6261	5.8387	1.7860		2.4977	3.0693	4.7025	5.0286	4.5361	4.1715
H10	2.1527	2.8888	1.1018	4.0070	2.6262	2.0724	4.6949	3.0693	2.4977		1.7817	4.1990	4.5604	2.9823	2.3931
H11	2.1527	2.8888	1.1018	4.0070	2.6262	2.0724	4.6949	2.4977	3.0693	1.7817		4.5604	4.1990	2.3931	2.9823
H12	4.8257	6.4844	3.9619	1.0946	2.1527	2.6433	1.7771	5.0286	4.7025	4.1990	4.5604		1.7768	3.0733	2.5074
H13	4.8257	6.4844	3.9619	1.0946	2.1527	2.6433	1.7771	4.7025	5.0286	4.5604	4.1990	1.7768		2.5074	3.0733
H14	3.9742	5.1798	2.5984	2.1612	1.1029	2.0634	2.4941	4.1715	4.5361	2.9823	2.3931	3.0733	2.5074		1.7775
H15	3.9742	5.1798	2.5984	2.1612	1.1029	2.0634	2.4941	4.5361	4.1715	2.3931	2.9823	2.5074	3.0733	1.7775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	107.048	C1	C3	H10	109.996
C1	C3	H11	109.996	Cl2	C1	C3	109.701
Cl2	C1	H8	107.417	Cl2	C1	H9	107.417
C3	C1	H8	111.185	C3	C1	H9	111.185
C3	O6	C5	112.524	C4	C5	O6	108.757
C4	C5	H14	110.794	C4	C5	H15	110.794
C5	C4	H7	110.041	C5	C4	H12	110.616
C5	C4	H13	110.616	O6	C3	H10	110.953
O6	C3	H11	110.953	O6	C5	H14	109.546
O6	C5	H15	109.546	H7	C4	H12	108.497
H7	C4	H13	108.497	H8	C1	H9	109.791
H10	C3	H11	107.906	H12	C4	H13	108.509
H14	C5	H15	107.385

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

using model chemistry: B1B95/aug-cc-pVDZ

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	0.343
2	Cl	-0.046
3	C	0.883
4	C	0.577
5	C	0.829
6	O	-0.556
7	H	-0.153
8	H	-0.162
9	H	-0.162
10	H	-0.294
11	H	-0.294
12	H	-0.165
13	H	-0.165
14	H	-0.318
15	H	-0.318

	x	y	z	Total
	2.067	-0.319	0.000	2.092
CHELPG
AIM
ESP

	x	y	z
x	13.038	-1.513	0.000
y	-1.513	10.184	0.000
z	0.000	0.000	8.823

<r²>	363.483
(<r²>)^1/2	19.065

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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