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	hartrees
Energy at 0K	-692.774683
Energy at 298.15K	-692.784813
Nuclear repulsion energy	288.338437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3072	3055	17.53
2	A'	3018	3001	14.57
3	A'	2982	2965	16.71
4	A'	2892	2876	64.31
5	A'	2877	2860	31.73
6	A'	1458	1450	1.82
7	A'	1438	1430	4.28
8	A'	1425	1416	3.39
9	A'	1418	1410	1.57
10	A'	1381	1373	12.96
11	A'	1335	1327	12.62
12	A'	1311	1304	24.42
13	A'	1208	1201	16.14
14	A'	1130	1123	217.87
15	A'	1112	1105	48.23
16	A'	1051	1045	2.69
17	A'	1024	1018	18.73
18	A'	875	870	13.29
19	A'	746	742	40.90
20	A'	463	461	0.50
21	A'	365	363	2.14
22	A'	258	256	3.08
23	A'	117	116	1.18
24	A"	3086	3068	7.42
25	A"	3069	3051	20.15
26	A"	2927	2910	29.72
27	A"	2908	2891	83.17
28	A"	1402	1394	6.58
29	A"	1236	1229	1.11
30	A"	1234	1227	1.30
31	A"	1160	1153	5.69
32	A"	1122	1116	3.20
33	A"	1005	999	2.19
34	A"	794	789	1.28
35	A"	778	774	0.48
36	A"	243	242	0.79
37	A"	143	143	5.76
38	A"	79	79	1.95
39	A"	54	53	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.362	-0.276	0.000
Cl2	-2.682	0.959	0.000
C3	0.000	0.405	0.000
C4	3.259	-1.305	0.000
C5	2.302	-0.125	0.000
O6	0.968	-0.630	0.000
H7	4.309	-0.953	0.000
H8	-1.493	-0.903	0.902
H9	-1.493	-0.903	-0.902
H10	0.100	1.061	-0.900
H11	0.100	1.061	0.900
H12	3.100	-1.936	-0.897
H13	3.100	-1.936	0.897
H14	2.468	0.521	0.898
H15	2.468	0.521	-0.898

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.8078	1.5228	4.7342	3.6676	2.3574	5.7117	1.1063	1.1063	2.1757	2.1757	4.8451	4.8451	4.0142	4.0142
Cl2	1.8078		2.7391	6.3581	5.1014	3.9816	7.2483	2.3867	2.3867	2.9259	2.9259	6.5288	6.5288	5.2466	5.2466
C3	1.5228	2.7391		3.6802	2.3626	1.4171	4.5180	2.1802	2.1802	1.1181	1.1181	3.9870	3.9870	2.6291	2.6291
C4	4.7342	6.3581	3.6802		1.5188	2.3878	1.1080	4.8533	4.8533	4.0481	4.0481	1.1082	1.1082	2.1835	2.1835
C5	3.6676	5.1014	2.3626	1.5188		1.4259	2.1707	3.9778	3.9778	2.6587	2.6587	2.1724	2.1724	1.1191	1.1191
O6	2.3574	3.9816	1.4171	2.3878	1.4259		3.3563	2.6358	2.6358	2.1029	2.1029	2.6563	2.6563	2.0929	2.0929
H7	5.7117	7.2483	4.5180	1.1080	2.1707	3.3563		5.8721	5.8721	4.7522	4.7522	1.7981	1.7981	2.5236	2.5236
H8	1.1063	2.3867	2.1802	4.8533	3.9778	2.6358	5.8721		1.8036	3.1049	2.5286	5.0400	4.7080	4.2096	4.5782
H9	1.1063	2.3867	2.1802	4.8533	3.9778	2.6358	5.8721	1.8036		2.5286	3.1049	4.7080	5.0400	4.5782	4.2096
H10	2.1757	2.9259	1.1181	4.0481	2.6587	2.1029	4.7522	3.1049	2.5286		1.8002	4.2406	4.6058	3.0222	2.4291
H11	2.1757	2.9259	1.1181	4.0481	2.6587	2.1029	4.7522	2.5286	3.1049	1.8002		4.6058	4.2406	2.4291	3.0222
H12	4.8451	6.5288	3.9870	1.1082	2.1724	2.6563	1.7981	5.0400	4.7080	4.2406	4.6058		1.7947	3.1082	2.5372
H13	4.8451	6.5288	3.9870	1.1082	2.1724	2.6563	1.7981	4.7080	5.0400	4.6058	4.2406	1.7947		2.5372	3.1082
H14	4.0142	5.2466	2.6291	2.1835	1.1191	2.0929	2.5236	4.2096	4.5782	3.0222	2.4291	3.1082	2.5372		1.7961
H15	4.0142	5.2466	2.6291	2.1835	1.1191	2.0929	2.5236	4.5782	4.2096	2.4291	3.0222	2.5372	3.1082	1.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.559	C1	C3	H10	109.998
C1	C3	H11	109.998	Cl2	C1	C3	110.355
Cl2	C1	H8	107.520	Cl2	C1	H9	107.520
C3	C1	H8	111.056	C3	C1	H9	111.056
C3	O6	C5	112.405	C4	C5	O6	108.325
C4	C5	H14	110.832	C4	C5	H15	110.832
C5	C4	H7	110.484	C5	C4	H12	110.608
C5	C4	H13	110.608	O6	C3	H10	111.543
O6	C3	H11	111.543	O6	C5	H14	110.062
O6	C5	H15	110.062	H7	C4	H12	108.459
H7	C4	H13	108.459	H8	C1	H9	109.204
H10	C3	H11	107.222	H12	C4	H13	108.145
H14	C5	H15	106.733

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

using model chemistry: PBEPBE/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	-0.098
2	Cl	-0.129
3	C	0.137
4	C	-0.061
5	C	0.066
6	O	-0.290
7	H	0.035
8	H	0.083
9	H	0.083
10	H	0.026
11	H	0.026
12	H	0.044
13	H	0.044
14	H	0.017
15	H	0.017

	x	y	z	Total
	1.933	-0.349	0.000	1.965
CHELPG
AIM
ESP

	x	y	z
x	11.783	-1.584	0.000
y	-1.584	8.663	0.000
z	0.000	0.000	7.362

<r²>	369.120
(<r²>)^1/2	19.212

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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