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	hartrees
Energy at 0K	-615.855544
Energy at 298.15K	-615.862817
Nuclear repulsion energy	212.597277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3101	12.73
2	A	3178	3032	5.17
3	A	3158	3013	11.14
4	A	3151	3006	17.78
5	A	3138	2994	22.13
6	A	3123	2979	1.31
7	A	3058	2918	14.99
8	A	1718	1639	1.04
9	A	1514	1445	2.09
10	A	1508	1439	5.89
11	A	1475	1407	8.85
12	A	1440	1374	4.64
13	A	1349	1287	3.87
14	A	1329	1268	12.46
15	A	1304	1245	19.09
16	A	1215	1159	6.04
17	A	1136	1084	1.72
18	A	1068	1019	30.71
19	A	1019	972	16.26
20	A	992	947	3.33
21	A	940	897	34.17
22	A	896	855	8.51
23	A	740	706	37.34
24	A	656	626	5.33
25	A	468	446	3.27
26	A	326	311	1.09
27	A	310	296	0.74
28	A	292	278	2.29
29	A	267	255	0.39
30	A	99	95	0.18

Atom	x (Å)	y (Å)	z (Å)
H1	3.210	-0.773	0.421
C2	1.194	-0.123	0.433
H3	2.440	-0.486	-1.243
C4	2.340	-0.477	-0.159
H5	0.160	0.251	-1.399
C6	-0.023	0.326	-0.324
H7	-0.683	1.801	1.117
H8	-1.352	2.032	-0.513
H9	0.353	2.441	-0.184
C10	-0.459	1.740	0.047
H11	1.100	-0.127	1.519
Cl12	-1.385	-0.820	0.018

	H1	C2	H3	C4	H5	C6	H7	H8	H9	C10	H11	Cl12
H1		2.1185	1.8556	1.0864	3.6963	3.4952	4.7183	5.4365	4.3424	4.4628	2.4642	4.6126
C2	2.1185		2.1198	1.3383	2.1361	1.5017	2.7732	3.4671	2.7675	2.5202	1.0899	2.7030
H3	1.8556	2.1198		1.0882	2.4015	2.7518	4.5337	4.6107	3.7478	3.8764	3.0903	4.0408
C4	1.0864	1.3383	1.0882		2.6118	2.5019	3.9950	4.4788	3.5309	3.5773	2.1156	3.7449
H5	3.6963	2.1361	2.4015	2.6118		1.0928	3.0727	2.4984	2.5109	2.1657	3.0884	2.3537
C6	3.4952	1.5017	2.7518	2.5019	1.0928		2.1649	2.1708	2.1521	1.5255	2.2052	1.8123
H7	4.7183	2.7732	4.5337	3.9950	3.0727	2.1649		1.7778	1.7819	1.0951	2.6567	2.9278
H8	5.4365	3.4671	4.6107	4.4788	2.4984	2.1708	1.7778		1.7839	1.0942	3.8480	2.9014
H9	4.3424	2.7675	3.7478	3.5309	2.5109	2.1521	1.7819	1.7839		1.0966	3.1706	3.7003
C10	4.4628	2.5202	3.8764	3.5773	2.1657	1.5255	1.0951	1.0942	1.0966		2.8433	2.7229
H11	2.4642	1.0899	3.0903	2.1156	3.0884	2.2052	2.6567	3.8480	3.1706	2.8433		2.9846
Cl12	4.6126	2.7030	4.0408	3.7449	2.3537	1.8123	2.9278	2.9014	3.7003	2.7229	2.9846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.439	H1	C4	H3	117.147
C2	C4	H3	121.413	C2	C6	H5	109.833
C2	C6	C10	112.711	C2	C6	Cl12	108.942
C4	C2	C6	123.409	C4	C2	H11	120.871
H5	C6	C10	110.520	H5	C6	Cl12	105.543
C6	C2	H11	115.710	C6	C10	H7	110.327
C6	C10	H8	110.843	C6	C10	H9	109.227
H7	C10	H8	108.588	H7	C10	H9	108.787
H8	C10	H9	109.030	C10	C6	Cl12	109.024

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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