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	hartrees
Energy at 0K	-691.924249
Energy at 298.15K	-691.934733
HF Energy	-691.044920
Nuclear repulsion energy	290.495402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	2999	22.10
2	A'	3174	2979	12.86
3	A'	3113	2922	13.66
4	A'	3063	2875	40.90
5	A'	3049	2861	26.04
6	A'	1601	1502	1.10
7	A'	1584	1487	5.32
8	A'	1560	1465	4.21
9	A'	1554	1459	3.96
10	A'	1507	1414	13.42
11	A'	1470	1379	17.88
12	A'	1439	1351	25.04
13	A'	1341	1259	29.59
14	A'	1221	1146	183.63
15	A'	1197	1124	32.97
16	A'	1122	1053	2.94
17	A'	1091	1024	13.71
18	A'	941	883	13.09
19	A'	814	764	39.49
20	A'	495	465	1.06
21	A'	391	367	3.18
22	A'	275	258	3.11
23	A'	127	120	1.44
24	A"	3238	3039	6.81
25	A"	3203	3007	22.52
26	A"	3104	2913	33.76
27	A"	3086	2896	54.02
28	A"	1545	1450	5.51
29	A"	1343	1261	1.53
30	A"	1336	1254	0.56
31	A"	1263	1185	6.30
32	A"	1225	1149	3.58
33	A"	1116	1048	2.54
34	A"	850	798	0.47
35	A"	828	778	0.14
36	A"	266	249	1.20
37	A"	163	153	9.34
38	A"	87	82	1.99
39	A"	64	60	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	-1.356	-0.267	0.000
Cl2	-2.664	0.952	0.000
C3	0.000	0.414	0.000
C4	3.234	-1.311	0.000
C5	2.291	-0.124	0.000
O6	0.961	-0.622	0.000
H7	4.275	-0.973	0.000
H8	-1.471	-0.887	0.889
H9	-1.471	-0.887	-0.889
H10	0.105	1.053	-0.889
H11	0.105	1.053	0.889
H12	3.064	-1.927	-0.887
H13	3.064	-1.927	0.887
H14	2.455	0.506	0.888
H15	2.455	0.506	-0.888

	C1	Cl2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.7882	1.5173	4.7068	3.6499	2.3435	5.6745	1.0897	1.0897	2.1602	2.1602	4.8042	4.8042	3.9882	3.9882
Cl2	1.7882		2.7175	6.3169	5.0704	3.9515	7.2005	2.3657	2.3657	2.9096	2.9096	6.4721	6.4721	5.2137	5.2137
C3	1.5173	2.7175		3.6651	2.3535	1.4129	4.4940	2.1554	2.1554	1.1000	1.1000	3.9570	3.9570	2.6118	2.6118
C4	4.7068	6.3169	3.6651		1.5159	2.3753	1.0942	4.8065	4.8065	4.0210	4.0210	1.0930	1.0930	2.1676	2.1676
C5	3.6499	5.0704	2.3535	1.5159		1.4208	2.1576	3.9402	3.9402	2.6373	2.6373	2.1531	2.1531	1.1008	1.1008
O6	2.3435	3.9515	1.4129	2.3753	1.4208		3.3325	2.6023	2.6023	2.0804	2.0804	2.6297	2.6297	2.0721	2.0721
H7	5.6745	7.2005	4.4940	1.0942	2.1576	3.3325		5.8143	5.8143	4.7204	4.7204	1.7778	1.7778	2.5080	2.5080
H8	1.0897	2.3657	2.1554	4.8065	3.9402	2.6023	5.8143		1.7775	3.0671	2.4991	4.9803	4.6530	4.1654	4.5284
H9	1.0897	2.3657	2.1554	4.8065	3.9402	2.6023	5.8143	1.7775		2.4991	3.0671	4.6530	4.9803	4.5284	4.1654
H10	2.1602	2.9096	1.1000	4.0210	2.6373	2.0804	4.7204	3.0671	2.4991		1.7786	4.1997	4.5599	2.9962	2.4124
H11	2.1602	2.9096	1.1000	4.0210	2.6373	2.0804	4.7204	2.4991	3.0671	1.7786		4.5599	4.1997	2.4124	2.9962
H12	4.8042	6.4721	3.9570	1.0930	2.1531	2.6297	1.7778	4.9803	4.6530	4.1997	4.5599		1.7738	3.0729	2.5087
H13	4.8042	6.4721	3.9570	1.0930	2.1531	2.6297	1.7778	4.6530	4.9803	4.5599	4.1997	1.7738		2.5087	3.0729
H14	3.9882	5.2137	2.6118	2.1676	1.1008	2.0721	2.5080	4.1654	4.5284	2.9962	2.4124	3.0729	2.5087		1.7752
H15	3.9882	5.2137	2.6118	2.1676	1.1008	2.0721	2.5080	4.5284	4.1654	2.4124	2.9962	2.5087	3.0729	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O6	106.166	C1	C3	H10	110.236
C1	C3	H11	110.236	Cl2	C1	C3	110.328
Cl2	C1	H8	108.109	Cl2	C1	H9	108.109
C3	C1	H8	110.467	C3	C1	H9	110.467
C3	O6	C5	112.308	C4	C5	O6	107.915
C4	C5	H14	110.865	C4	C5	H15	110.865
C5	C4	H7	110.463	C5	C4	H12	110.182
C5	C4	H13	110.182	O6	C3	H10	111.161
O6	C3	H11	111.161	O6	C5	H14	109.864
O6	C5	H15	109.864	H7	C4	H12	108.741
H7	C4	H13	108.741	H8	C1	H9	109.293
H10	C3	H11	107.900	H12	C4	H13	108.482
H14	C5	H15	107.472

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

using model chemistry: MP3/6-31G*

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

using model chemistry: MP3/6-31G*

States and conformations

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