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	hartrees
Energy at 0K	-693.205107
Energy at 298.15K	-693.215398
Nuclear repulsion energy	290.939531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3036	19.16
2	A'	3109	2988	13.96
3	A'	3064	2946	16.56
4	A'	2989	2873	55.38
5	A'	2973	2858	33.56
6	A'	1507	1449	2.19
7	A'	1487	1430	4.81
8	A'	1472	1415	3.89
9	A'	1467	1410	1.98
10	A'	1435	1379	12.02
11	A'	1385	1331	24.23
12	A'	1360	1307	22.50
13	A'	1252	1203	15.96
14	A'	1194	1148	257.55
15	A'	1155	1110	18.22
16	A'	1089	1047	4.67
17	A'	1069	1027	16.63
18	A'	909	874	11.52
19	A'	776	746	44.24
20	A'	474	455	0.71
21	A'	374	359	2.27
22	A'	263	253	3.16
23	A'	119	114	1.28
24	A"	3180	3056	6.51
25	A"	3155	3033	20.84
26	A"	3030	2912	31.38
27	A"	3009	2892	73.94
28	A"	1448	1392	6.45
29	A"	1284	1234	3.17
30	A"	1279	1229	0.14
31	A"	1202	1155	6.06
32	A"	1162	1117	3.66
33	A"	1040	999	2.23
34	A"	816	785	1.06
35	A"	798	767	0.33
36	A"	251	242	0.97
37	A"	149	144	6.87
38	A"	83	80	1.68
39	A"	55	53	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.353	-0.273	0.000
Cl2	-2.658	0.953	0.000
C3	0.000	0.402	0.000
C4	3.230	-1.300	0.000
C5	2.282	-0.126	0.000
O6	0.960	-0.619	0.000
H7	4.272	-0.953	0.000
H8	-1.481	-0.894	0.893
H9	-1.481	-0.894	-0.893
H10	0.099	1.050	-0.892
H11	0.099	1.050	0.892
H12	3.070	-1.924	-0.890
H13	3.070	-1.924	0.890
H14	2.448	0.513	0.889
H15	2.448	0.513	-0.889

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7903	1.5117	4.6968	3.6381	2.3391	5.6661	1.0958	1.0958	2.1569	2.1569	4.8043	4.8043	3.9817	3.9817
Cl2	1.7903		2.7145	6.3044	5.0568	3.9452	7.1876	2.3656	2.3656	2.8990	2.8990	6.4714	6.4714	5.2016	5.2016
C3	1.5117	2.7145		3.6512	2.3427	1.4019	4.4821	2.1614	2.1614	1.1067	1.1067	3.9531	3.9531	2.6069	2.6069
C4	4.6968	6.3044	3.6512		1.5085	2.3696	1.0982	4.8120	4.8120	4.0155	4.0155	1.0982	1.0982	2.1653	2.1653
C5	3.6381	5.0568	2.3427	1.5085		1.4107	2.1549	3.9432	3.9432	2.6358	2.6358	2.1547	2.1547	1.1077	1.1077
O6	2.3391	3.9452	1.4019	2.3696	1.4107		3.3286	2.6140	2.6140	2.0795	2.0795	2.6353	2.6353	2.0700	2.0700
H7	5.6661	7.1876	4.4821	1.0982	2.1549	3.3286		5.8223	5.8223	4.7146	4.7146	1.7827	1.7827	2.5036	2.5036
H8	1.0958	2.3656	2.1614	4.8120	3.9432	2.6140	5.8223		1.7862	3.0761	2.5054	4.9949	4.6660	4.1732	4.5380
H9	1.0958	2.3656	2.1614	4.8120	3.9432	2.6140	5.8223	1.7862		2.5054	3.0761	4.6660	4.9949	4.5380	4.1732
H10	2.1569	2.8990	1.1067	4.0155	2.6358	2.0795	4.7146	3.0761	2.5054		1.7832	4.2042	4.5659	2.9967	2.4100
H11	2.1569	2.8990	1.1067	4.0155	2.6358	2.0795	4.7146	2.5054	3.0761	1.7832		4.5659	4.2042	2.4100	2.9967
H12	4.8043	6.4714	3.9531	1.0982	2.1547	2.6353	1.7827	4.9949	4.6660	4.2042	4.5659		1.7791	3.0804	2.5147
H13	4.8043	6.4714	3.9531	1.0982	2.1547	2.6353	1.7827	4.6660	4.9949	4.5659	4.2042	1.7791		2.5147	3.0804
H14	3.9817	5.2016	2.6069	2.1653	1.1077	2.0700	2.5036	4.1732	4.5380	2.9967	2.4100	3.0804	2.5147		1.7790
H15	3.9817	5.2016	2.6069	2.1653	1.1077	2.0700	2.5036	4.5380	4.1732	2.4100	2.9967	2.5147	3.0804	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.738	C1	C3	H10	109.951
C1	C3	H11	109.951	Cl2	C1	C3	110.300
Cl2	C1	H8	107.657	Cl2	C1	H9	107.657
C3	C1	H8	110.964	C3	C1	H9	110.964
C3	O6	C5	112.803	C4	C5	O6	108.487
C4	C5	H14	110.783	C4	C5	H15	110.783
C5	C4	H7	110.531	C5	C4	H12	110.511
C5	C4	H13	110.511	O6	C3	H10	111.439
O6	C3	H11	111.439	O6	C5	H14	109.978
O6	C5	H15	109.978	H7	C4	H12	108.512
H7	C4	H13	108.512	H8	C1	H9	109.181
H10	C3	H11	107.340	H12	C4	H13	108.191
H14	C5	H15	106.829

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

using model chemistry: B1B95/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	-0.087
2	Cl	-0.138
3	C	0.154
4	C	-0.048
5	C	0.081
6	O	-0.334
7	H	0.032
8	H	0.085
9	H	0.085
10	H	0.026
11	H	0.026
12	H	0.043
13	H	0.043
14	H	0.016
15	H	0.016

	x	y	z	Total
	1.991	-0.302	0.000	2.014
CHELPG
AIM
ESP

	x	y	z
x	11.097	-1.489	0.000
y	-1.489	8.345	0.000
z	0.000	0.000	7.109

<r²>	363.108
(<r²>)^1/2	19.055

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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