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	hartrees
Energy at 0K	-615.332467
Energy at 298.15K	-615.339560
HF Energy	-614.933061
Nuclear repulsion energy	206.720510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3258	3145	25.17
2	A	3165	3055	11.72
3	A	3148	3039	29.28
4	A	3140	3031	13.44
5	A	3129	3021	27.46
6	A	3119	3011	1.57
7	A	3024	2919	21.65
8	A	1653	1595	1.79
9	A	1537	1484	5.70
10	A	1524	1471	8.22
11	A	1490	1439	10.49
12	A	1458	1407	8.78
13	A	1360	1313	1.70
14	A	1326	1280	0.55
15	A	1288	1243	24.73
16	A	1216	1174	14.14
17	A	1123	1084	3.08
18	A	1066	1029	31.21
19	A	1006	971	33.90
20	A	998	963	4.33
21	A	896	865	51.54
22	A	875	844	8.33
23	A	715	690	29.09
24	A	611	590	10.52
25	A	443	428	5.04
26	A	317	306	1.08
27	A	301	291	1.94
28	A	274	265	3.39
29	A	248	240	0.34
30	A	99	96	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	3.251	-0.843	0.429
C2	1.235	-0.096	0.441
H3	2.468	-0.605	-1.248
C4	2.382	-0.539	-0.159
H5	0.185	0.269	-1.420
C6	0.018	0.371	-0.335
H7	-0.692	1.858	1.115
H8	-1.355	2.075	-0.537
H9	0.353	2.516	-0.190
C10	-0.456	1.797	0.038
H11	1.163	-0.048	1.535
Cl12	-1.438	-0.848	0.024

	H1	C2	H3	C4	H5	C6	H7	H8	H9	C10	H11	Cl12
H1		2.1505	1.8666	1.0929	3.7490	3.5372	4.8290	5.5379	4.4802	4.5684	2.4939	4.7069
C2	2.1505		2.1522	1.3675	2.1670	1.5169	2.8261	3.5183	2.8286	2.5703	1.0978	2.8079
H3	1.8666	2.1522		1.0951	2.4501	2.7903	4.6515	4.7226	3.9164	3.9969	3.1244	4.1148
C4	1.0929	1.3675	1.0951		2.6583	2.5386	4.1005	4.5757	3.6675	3.6807	2.1438	3.8365
H5	3.7490	2.1670	2.4501	2.6583		1.1016	3.1170	2.5322	2.5670	2.2070	3.1282	2.4429
C6	3.5372	1.5169	2.7903	2.5386	1.1016		2.1950	2.1978	2.1760	1.5487	2.2325	1.9331
H7	4.8290	2.8261	4.6515	4.1005	3.1170	2.1950		1.7928	1.7963	1.1036	2.6923	3.0116
H8	5.5379	3.5183	4.7226	4.5757	2.5322	2.1978	1.7928		1.7975	1.1028	3.8907	2.9781
H9	4.4802	2.8286	3.9164	3.6675	2.5670	2.1760	1.7963	1.7975		1.1060	3.1944	3.8175
C10	4.5684	2.5703	3.9969	3.6807	2.2070	1.5487	1.1036	1.1028	1.1060		2.8746	2.8220
H11	2.4939	1.0978	3.1244	2.1438	3.1282	2.2325	2.6923	3.8907	3.1944	2.8746		3.1127
Cl12	4.7069	2.8079	4.1148	3.8365	2.4429	1.9331	3.0116	2.9781	3.8175	2.8220	3.1127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.456	H1	C4	H3	117.098
C2	C4	H3	121.446	C2	C6	H5	110.703
C2	C6	C10	113.941	C2	C6	Cl12	108.347
C4	C2	C6	123.222	C4	C2	H11	120.430
H5	C6	C10	111.654	H5	C6	Cl12	103.822
C6	C2	H11	116.339	C6	C10	H7	110.588
C6	C10	H8	110.848	C6	C10	H9	108.966
H7	C10	H8	108.692	H7	C10	H9	108.771
H8	C10	H9	108.933	C10	C6	Cl12	107.776

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-chloro-)

using model chemistry: MP2/SDD

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 CH2CHCHClCH3 (1-Butene, 3-chloro-)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-chloro-)