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	hartrees
Energy at 0K	-691.974367
Energy at 298.15K	-691.984797
HF Energy	-691.082834
Nuclear repulsion energy	290.053458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3047	17.84
2	A'	3140	2991	14.79
3	A'	3095	2948	15.41
4	A'	3032	2888	54.94
5	A'	3020	2877	26.84
6	A'	1537	1464	1.18
7	A'	1517	1445	4.87
8	A'	1502	1430	3.43
9	A'	1496	1425	2.53
10	A'	1455	1386	13.47
11	A'	1408	1341	24.11
12	A'	1383	1317	20.90
13	A'	1280	1219	23.36
14	A'	1189	1133	204.79
15	A'	1165	1110	24.93
16	A'	1104	1051	5.23
17	A'	1074	1023	16.87
18	A'	917	874	14.25
19	A'	806	767	35.83
20	A'	483	460	1.01
21	A'	382	364	2.55
22	A'	270	258	2.70
23	A'	123	117	1.26
24	A"	3216	3063	7.15
25	A"	3204	3052	18.67
26	A"	3085	2939	29.64
27	A"	3069	2924	68.98
28	A"	1481	1411	5.96
29	A"	1302	1240	3.03
30	A"	1300	1238	0.19
31	A"	1226	1167	5.80
32	A"	1186	1130	3.57
33	A"	1070	1019	2.52
34	A"	827	788	0.34
35	A"	809	771	0.08
36	A"	265	253	1.14
37	A"	163	156	7.23
38	A"	86	82	1.62
39	A"	63	60	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-0.274	0.000
Cl2	-2.661	0.958	0.000
C3	0.000	0.402	0.000
C4	3.242	-1.299	0.000
C5	2.284	-0.121	0.000
O6	0.959	-0.635	0.000
H7	4.286	-0.947	0.000
H8	-1.481	-0.899	0.896
H9	-1.481	-0.899	-0.896
H10	0.101	1.049	-0.896
H11	0.101	1.049	0.896
H12	3.078	-1.922	-0.893
H13	3.078	-1.922	0.893
H14	2.445	0.517	0.894
H15	2.445	0.517	-0.894

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7904	1.5196	4.7156	3.6483	2.3484	5.6871	1.0996	1.0996	2.1657	2.1657	4.8185	4.8185	3.9888	3.9888
Cl2	1.7904		2.7181	6.3191	5.0611	3.9550	7.2031	2.3755	2.3755	2.9051	2.9051	6.4822	6.4822	5.2019	5.2019
C3	1.5196	2.7181		3.6608	2.3432	1.4127	4.4932	2.1657	2.1657	1.1095	1.1095	3.9585	3.9585	2.6057	2.6057
C4	4.7156	6.3191	3.6608		1.5178	2.3769	1.1020	4.8237	4.8237	4.0218	4.0218	1.1013	1.1013	2.1754	2.1754
C5	3.6483	5.0611	2.3432	1.5178		1.4207	2.1655	3.9477	3.9477	2.6334	2.6334	2.1608	2.1608	1.1102	1.1102
O6	2.3484	3.9550	1.4127	2.3769	1.4207		3.3412	2.6133	2.6133	2.0913	2.0913	2.6346	2.6346	2.0817	2.0817
H7	5.6871	7.2031	4.4932	1.1020	2.1655	3.3412		5.8365	5.8365	4.7218	4.7218	1.7910	1.7910	2.5164	2.5164
H8	1.0996	2.3755	2.1657	4.8237	3.9477	2.6133	5.8365		1.7929	3.0839	2.5097	5.0032	4.6721	4.1737	4.5414
H9	1.0996	2.3755	2.1657	4.8237	3.9477	2.6133	5.8365	1.7929		2.5097	3.0839	4.6721	5.0032	4.5414	4.1737
H10	2.1657	2.9051	1.1095	4.0218	2.6334	2.0913	4.7218	3.0839	2.5097		1.7914	4.2050	4.5697	2.9960	2.4029
H11	2.1657	2.9051	1.1095	4.0218	2.6334	2.0913	4.7218	2.5097	3.0839	1.7914		4.5697	4.2050	2.4029	2.9960
H12	4.8185	6.4822	3.9585	1.1013	2.1608	2.6346	1.7910	5.0032	4.6721	4.2050	4.5697		1.7868	3.0892	2.5197
H13	4.8185	6.4822	3.9585	1.1013	2.1608	2.6346	1.7910	4.6721	5.0032	4.5697	4.2050	1.7868		2.5197	3.0892
H14	3.9888	5.2019	2.6057	2.1754	1.1102	2.0817	2.5164	4.1737	4.5414	2.9960	2.4029	3.0892	2.5197		1.7875
H15	3.9888	5.2019	2.6057	2.1754	1.1102	2.0817	2.5164	4.5414	4.1737	2.4029	2.9960	2.5197	3.0892	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.372	C1	C3	H10	109.944
C1	C3	H11	109.944	Cl2	C1	C3	110.138
Cl2	C1	H8	108.180	Cl2	C1	H9	108.180
C3	C1	H8	110.524	C3	C1	H9	110.524
C3	O6	C5	111.579	C4	C5	O6	107.928
C4	C5	H14	110.785	C4	C5	H15	110.785
C5	C4	H7	110.497	C5	C4	H12	110.168
C5	C4	H13	110.168	O6	C3	H10	111.460
O6	C3	H11	111.460	O6	C5	H14	110.066
O6	C5	H15	110.066	H7	C4	H12	108.763
H7	C4	H13	108.763	H8	C1	H9	109.228
H10	C3	H11	107.672	H12	C4	H13	108.431
H14	C5	H15	107.223

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

using model chemistry: MP2/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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All results from a given calculation for C4H9ClO (1-Chloro-2-ethoxyethane)

using model chemistry: MP2/cc-pVDZ

States and conformations

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