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	hartrees
Energy at 0K	-615.590120
Energy at 298.15K	-615.597603
HF Energy	-615.007487
Nuclear repulsion energy	207.950695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3352	3104	16.48
2	A	3290	3046	3.05
3	A	3283	3039	10.84
4	A	3266	3024	9.87
5	A	3221	2982	26.07
6	A	3197	2960	7.72
7	A	3153	2919	16.88
8	A	1822	1687	3.90
9	A	1582	1464	3.15
10	A	1573	1456	11.31
11	A	1541	1427	3.70
12	A	1452	1344	1.16
13	A	1426	1320	42.50
14	A	1392	1289	3.46
15	A	1337	1238	0.08
16	A	1264	1170	0.04
17	A	1201	1111	2.56
18	A	1107	1025	6.38
19	A	1086	1006	13.88
20	A	1060	982	4.96
21	A	1011	936	43.46
22	A	960	889	15.12
23	A	866	802	3.01
24	A	727	673	27.77
25	A	701	649	12.45
26	A	475	440	1.78
27	A	376	348	0.32
28	A	261	242	1.68
29	A	134	124	2.24
30	A	82	76	0.20

Atom	x (Å)	y (Å)	z (Å)
H1	3.239	-1.284	-0.412
C2	1.423	-0.424	0.212
H3	3.164	0.552	-0.468
C4	2.667	-0.383	-0.246
H5	0.288	0.838	1.513
C6	0.578	0.790	0.462
H7	-1.211	1.780	-0.243
H8	-0.439	0.740	-1.447
C9	-0.678	0.846	-0.394
H10	0.963	-1.381	0.424
H11	1.159	1.690	0.247
Cl12	-1.830	-0.465	0.011

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1039	1.8382	1.0803	4.1132	3.4854	5.4051	4.3237	4.4592	2.4273	3.6890	5.1520
C2	2.1039		2.1084	1.3256	2.1390	1.5004	3.4640	2.7518	2.5290	1.0828	2.1308	3.2593
H3	1.8382	2.1084		1.0821	3.5041	2.7585	4.5495	3.7387	3.8548	3.0623	2.4145	5.1189
C4	1.0803	1.3256	1.0821		3.2004	2.4979	4.4397	3.5141	3.5669	2.0852	2.6107	4.5045
H5	4.1132	2.1390	3.5041	3.2004		1.0915	2.4935	3.0500	2.1382	2.5618	1.7567	2.9052
C6	3.4854	1.5004	2.7585	2.4979	1.0915		2.1624	2.1639	1.5216	2.2050	1.0920	2.7528
H7	5.4051	3.4640	4.5495	4.4397	2.4935	2.1624		1.7683	1.0853	3.8929	2.4212	2.3424
H8	4.3237	2.7518	3.7387	3.5141	3.0500	2.1639	1.7683		1.0853	3.1561	2.5155	2.3478
C9	4.4592	2.5290	3.8548	3.5669	2.1382	1.5216	1.0853	1.0853		2.8843	2.1212	1.7911
H10	2.4273	1.0828	3.0623	2.0852	2.5618	2.2050	3.8929	3.1561	2.8843		3.0820	2.9673
H11	3.6890	2.1308	2.4145	2.6107	1.7567	1.0920	2.4212	2.5155	2.1212	3.0820		3.6921
Cl12	5.1520	3.2593	5.1189	4.5045	2.9052	2.7528	2.3424	2.3478	1.7911	2.9673	3.6921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.638	H1	C4	H3	116.436
C2	C4	H3	121.925	C2	C6	H5	110.232
C2	C6	C9	113.619	C2	C6	H11	109.553
C4	C2	C6	124.122	C4	C2	H10	119.608
H5	C6	C9	108.710	H5	C6	H11	107.127
C6	C2	H10	116.270	C6	C9	H7	110.982
C6	C9	H8	111.104	C6	C9	Cl12	112.144
H7	C9	H8	109.110	H7	C9	Cl12	106.450
H8	C9	Cl12	106.841	C9	C6	H11	107.361

All results from a given calculation for CH₂CHCH₂CH₂Cl (1-Butene, 4-chloro-)

using model chemistry: CISD/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 CH2CHCH2CH2Cl (1-Butene, 4-chloro-)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for CH₂CHCH₂CH₂Cl (1-Butene, 4-chloro-)