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	hartrees
Energy at 0K	-693.394023
Energy at 298.15K	-693.404238
HF Energy	-693.394023
Nuclear repulsion energy	289.818389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3105	3006	28.20
2	A'	3089	2992	14.60
3	A'	3035	2938	19.54
4	A'	2975	2881	55.03
5	A'	2959	2865	35.80
6	A'	1538	1489	1.60
7	A'	1523	1475	2.96
8	A'	1510	1462	3.83
9	A'	1501	1453	2.04
10	A'	1440	1394	11.84
11	A'	1409	1364	3.10
12	A'	1376	1332	25.26
13	A'	1271	1230	21.43
14	A'	1152	1116	45.65
15	A'	1124	1088	227.18
16	A'	1068	1035	1.11
17	A'	1029	996	15.86
18	A'	891	862	15.69
19	A'	750	726	46.48
20	A'	462	448	0.41
21	A'	364	353	2.22
22	A'	256	248	3.20
23	A'	116	112	1.42
24	A"	3151	3051	7.74
25	A"	3109	3010	30.95
26	A"	3008	2913	31.91
27	A"	2986	2892	61.81
28	A"	1494	1446	5.60
29	A"	1295	1254	1.93
30	A"	1294	1253	0.67
31	A"	1209	1171	5.97
32	A"	1174	1137	2.43
33	A"	1053	1019	1.72
34	A"	814	788	0.53
35	A"	793	768	0.27
36	A"	241	233	0.77
37	A"	140	136	6.54
38	A"	83	80	2.57
39	A"	53	52	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	-1.358	-0.267	0.000
Cl2	-2.668	0.965	0.000
C3	0.000	0.414	0.000
C4	3.235	-1.333	0.000
C5	2.300	-0.138	0.000
O6	0.965	-0.613	0.000
H7	4.274	-0.998	0.000
H8	-1.488	-0.879	0.889
H9	-1.488	-0.879	-0.889
H10	0.097	1.054	-0.888
H11	0.097	1.054	0.888
H12	3.067	-1.948	-0.885
H13	3.067	-1.948	0.885
H14	2.476	0.489	0.886
H15	2.476	0.489	-0.886

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7990	1.5190	4.7144	3.6598	2.3478	5.6789	1.0873	1.0873	2.1567	2.1567	4.8153	4.8153	4.0063	4.0063
Cl2	1.7990		2.7244	6.3346	5.0891	3.9608	7.2145	2.3628	2.3628	2.9059	2.9059	6.4934	6.4934	5.2412	5.2412
C3	1.5190	2.7244		3.6765	2.3653	1.4091	4.5014	2.1630	2.1630	1.0988	1.0988	3.9714	3.9714	2.6305	2.6305
C4	4.7144	6.3346	3.6765		1.5172	2.3816	1.0918	4.8278	4.8278	4.0411	4.0411	1.0912	1.0912	2.1638	2.1638
C5	3.6598	5.0891	2.3653	1.5172		1.4172	2.1534	3.9613	3.9613	2.6573	2.6573	2.1561	2.1561	1.0999	1.0999
O6	2.3478	3.9608	1.4091	2.3816	1.4172		3.3318	2.6229	2.6229	2.0784	2.0784	2.6433	2.6433	2.0696	2.0696
H7	5.6789	7.2145	4.5014	1.0918	2.1534	3.3318		5.8320	5.8320	4.7376	4.7376	1.7730	1.7730	2.4964	2.4964
H8	1.0873	2.3628	2.1630	4.8278	3.9613	2.6229	5.8320		1.7788	3.0676	2.5003	5.0047	4.6794	4.1935	4.5540
H9	1.0873	2.3628	2.1630	4.8278	3.9613	2.6229	5.8320	1.7788		2.5003	3.0676	4.6794	5.0047	4.5540	4.1935
H10	2.1567	2.9059	1.0988	4.0411	2.6573	2.0784	4.7376	3.0676	2.5003		1.7758	4.2229	4.5801	3.0204	2.4444
H11	2.1567	2.9059	1.0988	4.0411	2.6573	2.0784	4.7376	2.5003	3.0676	1.7758		4.5801	4.2229	2.4444	3.0204
H12	4.8153	6.4934	3.9714	1.0912	2.1561	2.6433	1.7730	5.0047	4.6794	4.2229	4.5801		1.7709	3.0707	2.5081
H13	4.8153	6.4934	3.9714	1.0912	2.1561	2.6433	1.7730	4.6794	5.0047	4.5801	4.2229	1.7709		2.5081	3.0707
H14	4.0063	5.2412	2.6305	2.1638	1.0999	2.0696	2.4964	4.1935	4.5540	3.0204	2.4444	3.0707	2.5081		1.7726
H15	4.0063	5.2412	2.6305	2.1638	1.0999	2.0696	2.4964	4.5540	4.1935	2.4444	3.0204	2.5081	3.0707	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.549	C1	C3	H10	109.906
C1	C3	H11	109.906	Cl2	C1	C3	110.107
Cl2	C1	H8	107.313	Cl2	C1	H9	107.313
C3	C1	H8	111.099	C3	C1	H9	111.099
C3	O6	C5	113.628	C4	C5	O6	108.465
C4	C5	H14	110.531	C4	C5	H15	110.531
C5	C4	H7	110.187	C5	C4	H12	110.444
C5	C4	H13	110.444	O6	C3	H10	111.337
O6	C3	H11	111.337	O6	C5	H14	109.971
O6	C5	H15	109.971	H7	C4	H12	108.617
H7	C4	H13	108.617	H8	C1	H9	109.768
H10	C3	H11	107.814	H12	C4	H13	108.476
H14	C5	H15	107.371

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

using model chemistry: TPSSh/cc-pVTZ

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	-0.059
2	Cl	-0.193
3	C	0.074
4	C	-0.212
5	C	0.071
6	O	-0.306
7	H	0.069
8	H	0.106
9	H	0.106
10	H	0.053
11	H	0.053
12	H	0.079
13	H	0.079
14	H	0.040
15	H	0.040

	x	y	z	Total
	2.071	-0.337	0.000	2.098
CHELPG
AIM
ESP

	x	y	z
x	12.540	-1.662	0.000
y	-1.662	9.434	0.000
z	0.000	0.000	7.998

<r²>	366.501
(<r²>)^1/2	19.144

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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