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	hartrees
Energy at 0K	-693.123514
Energy at 298.15K	-693.133669
HF Energy	-693.123514
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3082	3021	31.25
2	A'	3057	2997	19.68
3	A'	3004	2945	21.67
4	A'	2933	2876	68.48
5	A'	2913	2856	37.19
6	A'	1536	1505	0.82
7	A'	1516	1486	4.79
8	A'	1502	1473	5.06
9	A'	1491	1462	1.91
10	A'	1437	1409	12.92
11	A'	1401	1374	7.80
12	A'	1373	1346	33.77
13	A'	1276	1251	30.41
14	A'	1143	1120	60.80
15	A'	1115	1093	209.16
16	A'	1054	1033	1.22
17	A'	1019	999	14.19
18	A'	885	868	15.90
19	A'	726	712	49.84
20	A'	472	462	0.35
21	A'	370	363	2.45
22	A'	261	256	3.54
23	A'	119	116	1.33
24	A"	3123	3062	13.05
25	A"	3087	3027	33.58
26	A"	2965	2907	47.26
27	A"	2943	2886	80.88
28	A"	1486	1457	5.03
29	A"	1289	1263	1.47
30	A"	1284	1259	0.59
31	A"	1207	1183	5.06
32	A"	1167	1145	3.42
33	A"	1057	1036	2.52
34	A"	818	802	0.82
35	A"	799	783	0.32
36	A"	249	244	0.83
37	A"	147	144	7.42
38	A"	71	69	1.77
39	A"	50	49	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-0.282	0.000
Cl2	-2.689	0.955	0.000
C3	0.000	0.407	0.000
C4	3.265	-1.302	0.000
C5	2.306	-0.120	0.000
O6	0.971	-0.626	0.000
H7	4.306	-0.947	0.000
H8	-1.488	-0.901	0.894
H9	-1.488	-0.901	-0.894
H10	0.099	1.053	-0.893
H11	0.099	1.053	0.893
H12	3.108	-1.925	-0.891
H13	3.108	-1.925	0.891
H14	2.469	0.518	0.892
H15	2.469	0.518	-0.892

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8150	1.5255	4.7376	3.6711	2.3578	5.7059	1.0954	1.0954	2.1703	2.1703	4.8440	4.8440	4.0128	4.0128
Cl2	1.8150		2.7444	6.3681	5.1100	3.9876	7.2492	2.3851	2.3851	2.9290	2.9290	6.5341	6.5341	5.2529	5.2529
C3	1.5255	2.7444		3.6858	2.3659	1.4183	4.5140	2.1740	2.1740	1.1067	1.1067	3.9865	3.9865	2.6273	2.6273
C4	4.7376	6.3681	3.6858		1.5224	2.3914	1.0994	4.8534	4.8534	4.0464	4.0464	1.0986	1.0986	2.1775	2.1775
C5	3.6711	5.1100	2.3659	1.5224		1.4278	2.1639	3.9761	3.9761	2.6549	2.6549	2.1669	2.1669	1.1080	1.1080
O6	2.3578	3.9876	1.4183	2.3914	1.4278		3.3499	2.6316	2.6316	2.0927	2.0927	2.6542	2.6542	2.0845	2.0845
H7	5.7059	7.2492	4.5140	1.0994	2.1639	3.3499		5.8628	5.8628	4.7436	4.7436	1.7850	1.7850	2.5132	2.5132
H8	1.0954	2.3851	2.1740	4.8534	3.9761	2.6316	5.8628		1.7889	3.0875	2.5171	5.0356	4.7084	4.2036	4.5674
H9	1.0954	2.3851	2.1740	4.8534	3.9761	2.6316	5.8628	1.7889		2.5171	3.0875	4.7084	5.0356	4.5674	4.2036
H10	2.1703	2.9290	1.1067	4.0464	2.6549	2.0927	4.7436	3.0875	2.5171		1.7869	4.2337	4.5944	3.0153	2.4301
H11	2.1703	2.9290	1.1067	4.0464	2.6549	2.0927	4.7436	2.5171	3.0875	1.7869		4.5944	4.2337	2.4301	3.0153
H12	4.8440	6.5341	3.9865	1.0986	2.1669	2.6542	1.7850	5.0356	4.7084	4.2337	4.5944		1.7822	3.0909	2.5250
H13	4.8440	6.5341	3.9865	1.0986	2.1669	2.6542	1.7850	4.7084	5.0356	4.5944	4.2337	1.7822		2.5250	3.0909
H14	4.0128	5.2529	2.6273	2.1775	1.1080	2.0845	2.5132	4.2036	4.5674	3.0153	2.4301	3.0909	2.5250		1.7834
H15	4.0128	5.2529	2.6273	2.1775	1.1080	2.0845	2.5132	4.5674	4.2036	2.4301	3.0153	2.5250	3.0909	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.861	C1	C3	H10	110.080
C1	C3	H11	110.080	Cl2	C1	C3	110.736
Cl2	C1	H8	107.805	Cl2	C1	H9	107.805
C3	C1	H8	110.641	C3	C1	H9	110.641
C3	O6	C5	112.967	C4	C5	O6	108.538
C4	C5	H14	110.769	C4	C5	H15	110.769
C5	C4	H7	110.513	C5	C4	H12	110.410
C5	C4	H13	110.410	O6	C3	H10	111.150
O6	C3	H11	111.150	O6	C5	H14	109.836
O6	C5	H15	109.836	H7	C4	H12	108.540
H7	C4	H13	108.540	H8	C1	H9	109.118
H10	C3	H11	107.541	H12	C4	H13	108.362
H14	C5	H15	107.089

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

using model chemistry: B97D3/6-31G*

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	-0.387
2	Cl	-0.086
3	C	-0.013
4	C	-0.467
5	C	-0.024
6	O	-0.459
7	H	0.152
8	H	0.207
9	H	0.207
10	H	0.143
11	H	0.143
12	H	0.165
13	H	0.165
14	H	0.128
15	H	0.128

	x	y	z	Total
	2.142	-0.370	0.000	2.174
CHELPG
AIM
ESP

	x	y	z
x	11.157	-1.548	0.000
y	-1.548	8.102	0.000
z	0.000	0.000	7.012

<r²>	369.591
(<r²>)^1/2	19.225

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

using model chemistry: B97D3/6-31G*

States and conformations

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