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	hartrees
Energy at 0K	-693.235818
Energy at 298.15K	-693.245955
HF Energy	-693.235818
Nuclear repulsion energy	288.310869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3064	3020	29.52
2	A'	3050	3006	17.63
3	A'	2992	2949	21.34
4	A'	2928	2886	66.34
5	A'	2908	2867	40.75
6	A'	1504	1483	1.81
7	A'	1488	1466	3.77
8	A'	1474	1453	4.92
9	A'	1466	1445	1.99
10	A'	1418	1397	8.80
11	A'	1383	1363	8.77
12	A'	1359	1340	21.62
13	A'	1264	1245	25.45
14	A'	1129	1113	27.28
15	A'	1084	1069	243.88
16	A'	1048	1033	1.25
17	A'	1004	990	16.62
18	A'	873	861	19.59
19	A'	714	704	48.85
20	A'	470	463	0.23
21	A'	367	362	2.38
22	A'	259	255	3.40
23	A'	118	116	1.40
24	A"	3115	3070	10.14
25	A"	3070	3026	32.29
26	A"	2960	2918	39.61
27	A"	2937	2894	68.97
28	A"	1458	1437	6.29
29	A"	1277	1259	1.85
30	A"	1272	1254	0.69
31	A"	1191	1174	4.16
32	A"	1153	1136	3.44
33	A"	1038	1023	1.94
34	A"	814	802	0.66
35	A"	795	783	0.16
36	A"	246	242	0.75
37	A"	141	139	7.73
38	A"	68	67	1.78
39	A"	45	45	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-1.368	-0.264	0.000
Cl2	-2.672	1.008	0.000
C3	0.000	0.397	0.000
C4	3.252	-1.348	0.000
C5	2.305	-0.162	0.000
O6	0.960	-0.650	0.000
H7	4.291	-0.999	0.000
H8	-1.514	-0.873	0.893
H9	-1.514	-0.873	-0.893
H10	0.111	1.036	-0.892
H11	0.111	1.036	0.892
H12	3.094	-1.968	-0.889
H13	3.094	-1.968	0.889
H14	2.471	0.470	0.890
H15	2.471	0.470	-0.890

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8222	1.5195	4.7448	3.6742	2.3600	5.7058	1.0909	1.0909	2.1617	2.1617	4.8580	4.8580	4.0084	4.0084
Cl2	1.8222		2.7412	6.3752	5.1129	3.9933	7.2463	2.3827	2.3827	2.9226	2.9226	6.5496	6.5496	5.2473	5.2473
C3	1.5195	2.7412		3.6905	2.3718	1.4214	4.5121	2.1691	2.1691	1.1026	1.1026	3.9948	3.9948	2.6273	2.6273
C4	4.7448	6.3752	3.6905		1.5176	2.3950	1.0961	4.8720	4.8720	4.0430	4.0430	1.0949	1.0949	2.1695	2.1695
C5	3.6742	5.1129	2.3718	1.5176		1.4305	2.1549	3.9862	3.9862	2.6544	2.6544	2.1621	2.1621	1.1041	1.1041
O6	2.3600	3.9933	1.4214	2.3950	1.4305		3.3483	2.6403	2.6403	2.0886	2.0886	2.6606	2.6606	2.0806	2.0806
H7	5.7058	7.2463	4.5121	1.0961	2.1549	3.3483		5.8744	5.8744	4.7339	4.7339	1.7778	1.7778	2.5022	2.5022
H8	1.0909	2.3827	2.1691	4.8720	3.9862	2.6403	5.8744		1.7866	3.0778	2.5072	5.0607	4.7366	4.2053	4.5678
H9	1.0909	2.3827	2.1691	4.8720	3.9862	2.6403	5.8744	1.7866		2.5072	3.0778	4.7366	5.0607	4.5678	4.2053
H10	2.1617	2.9226	1.1026	4.0430	2.6544	2.0886	4.7339	3.0778	2.5072		1.7838	4.2341	4.5932	3.0111	2.4272
H11	2.1617	2.9226	1.1026	4.0430	2.6544	2.0886	4.7339	2.5072	3.0778	1.7838		4.5932	4.2341	2.4272	3.0111
H12	4.8580	6.5496	3.9948	1.0949	2.1621	2.6606	1.7778	5.0607	4.7366	4.2341	4.5932		1.7772	3.0816	2.5165
H13	4.8580	6.5496	3.9948	1.0949	2.1621	2.6606	1.7778	4.7366	5.0607	4.5932	4.2341	1.7772		2.5165	3.0816
H14	4.0084	5.2473	2.6273	2.1695	1.1041	2.0806	2.5022	4.2053	4.5678	3.0111	2.4272	3.0816	2.5165		1.7801
H15	4.0084	5.2473	2.6273	2.1695	1.1041	2.0806	2.5022	4.5678	4.2053	2.4272	3.0111	2.5165	3.0816	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.689	C1	C3	H10	110.039
C1	C3	H11	110.039	Cl2	C1	C3	109.899
Cl2	C1	H8	107.068	Cl2	C1	H9	107.068
C3	C1	H8	111.337	C3	C1	H9	111.337
C3	O6	C5	112.544	C4	C5	O6	108.626
C4	C5	H14	110.704	C4	C5	H15	110.704
C5	C4	H7	110.018	C5	C4	H12	110.663
C5	C4	H13	110.663	O6	C3	H10	111.057
O6	C3	H11	111.057	O6	C5	H14	109.675
O6	C5	H15	109.675	H7	C4	H12	108.466
H7	C4	H13	108.466	H8	C1	H9	109.949
H10	C3	H11	107.970	H12	C4	H13	108.498
H14	C5	H15	107.445

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

using model chemistry: B97D3/TZVP

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	-0.153
2	Cl	-0.143
3	C	-0.090
4	C	-0.295
5	C	-0.067
6	O	-0.245
7	H	0.104
8	H	0.149
9	H	0.149
10	H	0.096
11	H	0.096
12	H	0.114
13	H	0.114
14	H	0.087
15	H	0.087

	x	y	z	Total
	2.107	-0.272	0.000	2.124
CHELPG
AIM
ESP

	x	y	z
x	12.302	-1.646	0.000
y	-1.646	9.320	0.000
z	0.000	0.000	8.054

<r²>	370.567
(<r²>)^1/2	19.250

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

using model chemistry: B97D3/TZVP

States and conformations

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