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	hartrees
Energy at 0K	-615.797590
Energy at 298.15K	-615.804746
HF Energy	-615.022321
Nuclear repulsion energy	201.070986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3310	3084	9.13
2	A	3258	3035	7.69
3	A	3217	2997	34.21
4	A	3212	2993	36.58
5	A	3170	2953	10.72
6	A	3128	2914	28.18
7	A	3122	2908	27.11
8	A	1754	1634	26.63
9	A	1556	1450	5.87
10	A	1552	1446	7.18
11	A	1539	1433	2.64
12	A	1470	1369	2.40
13	A	1409	1313	1.63
14	A	1365	1271	11.53
15	A	1339	1248	7.97
16	A	1301	1212	5.44
17	A	1181	1100	0.68
18	A	1129	1051	2.34
19	A	1077	1004	7.88
20	A	985	918	52.83
21	A	941	876	2.65
22	A	873	813	45.53
23	A	823	767	3.63
24	A	779	726	3.77
25	A	452	421	1.60
26	A	387	361	2.33
27	A	300	279	0.30
28	A	206	192	0.20
29	A	169	158	0.27
30	A	99	93	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	0.293	-0.836	1.109
C2	0.406	-0.010	0.417
H3	-0.626	1.270	-0.938
Cl4	-2.262	-0.193	-0.027
C5	-0.660	0.455	-0.233
H6	1.754	1.387	-0.462
H7	2.147	0.935	1.186
C8	1.789	0.545	0.230
H9	3.769	-0.093	-0.388
H10	2.828	-1.354	0.406
H11	2.453	-0.891	-1.252
C12	2.770	-0.512	-0.282

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0835	3.0774	2.8687	2.0917	3.0890	2.5646	2.2177	3.8565	2.6806	3.1998	2.8588
C2	1.0835		2.1303	2.7100	1.3319	2.1310	2.1250	1.5026	3.4592	2.7699	2.7841	2.5157
H3	3.0774	2.1303		2.3767	1.0787	2.4297	3.5087	2.7792	4.6339	4.5407	3.7743	3.8901
Cl4	2.8687	2.7100	2.3767		1.7397	4.3372	4.7092	4.1258	6.0421	5.2378	4.9204	5.0477
C5	2.0917	1.3319	1.0787	1.7397		2.5981	3.1817	2.4948	4.4656	3.9805	3.5411	3.5637
H6	3.0890	2.1310	2.4297	4.3372	2.5981		1.7532	1.0903	2.5012	3.0687	2.5103	2.1606
H7	2.5646	2.1250	3.5087	4.7092	3.1817	1.7532		1.0918	2.4828	2.5117	3.0610	2.1529
C8	2.2177	1.5026	2.7792	4.1258	2.4948	1.0903	1.0918		2.1699	2.1716	2.1682	1.5301
H9	3.8565	3.4592	4.6339	6.0421	4.4656	2.5012	2.4828	2.1699		1.7622	1.7652	1.0885
H10	2.6806	2.7699	4.5407	5.2378	3.9805	3.0687	2.5117	2.1716	1.7622		1.7616	1.0891
H11	3.1998	2.7841	3.7743	4.9204	3.5411	2.5103	3.0610	2.1682	1.7652	1.7616		1.0884
C12	2.8588	2.5157	3.8901	5.0477	3.5637	2.1606	2.1529	1.5301	1.0885	1.0891	1.0884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.635	H1	C2	C8	117.158
C2	C5	H3	123.846	C2	C5	Cl4	123.288
C2	C8	H6	109.511	C2	C8	H7	108.954
C2	C8	C12	112.096	H3	C5	Cl4	112.866
C5	C2	C8	123.203	H6	C8	H7	106.929
H6	C8	C12	109.949	H7	C8	C12	109.259
C8	C12	H9	110.794	C8	C12	H10	110.887
C8	C12	H11	110.661	H9	C12	H10	108.040
H9	C12	H11	108.356	H10	C12	H11	107.996

All results from a given calculation for CHClCHCH₂CH₃ ((E)-1-Chloro-1-butene)

using model chemistry: MP3=FULL/6-31+G**

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 CHClCHCH2CH3 ((E)-1-Chloro-1-butene)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for CHClCHCH₂CH₃ ((E)-1-Chloro-1-butene)