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	hartrees
Energy at 0K	-615.587490
Energy at 298.15K	-615.594978
HF Energy	-615.007497
Nuclear repulsion energy	208.013835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3356	3100	15.98
2	A	3293	3042	2.98
3	A	3286	3035	10.46
4	A	3269	3020	9.40
5	A	3224	2978	25.73
6	A	3201	2957	7.17
7	A	3157	2916	16.44
8	A	1826	1686	3.80
9	A	1583	1462	3.29
10	A	1574	1454	11.40
11	A	1542	1425	3.77
12	A	1453	1342	1.10
13	A	1427	1318	42.03
14	A	1393	1287	3.39
15	A	1338	1236	0.08
16	A	1265	1169	0.04
17	A	1202	1110	2.56
18	A	1108	1024	6.11
19	A	1087	1004	14.10
20	A	1061	980	4.97
21	A	1012	935	43.76
22	A	961	888	15.10
23	A	867	801	3.06
24	A	730	674	27.15
25	A	702	648	12.54
26	A	475	439	1.79
27	A	377	348	0.32
28	A	261	241	1.68
29	A	134	124	2.24
30	A	82	76	0.20

Atom	x (Å)	y (Å)	z (Å)
H1	3.239	-1.283	-0.412
C2	1.423	-0.424	0.212
H3	3.163	0.552	-0.468
C4	2.666	-0.383	-0.246
H5	0.288	0.838	1.513
C6	0.578	0.790	0.462
H7	-1.210	1.779	-0.243
H8	-0.438	0.739	-1.447
C9	-0.678	0.845	-0.394
H10	0.963	-1.380	0.425
H11	1.158	1.690	0.247
Cl12	-1.829	-0.465	0.011

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1032	1.8378	1.0801	4.1122	3.4844	5.4035	4.3223	4.4581	2.4266	3.6879	5.1508
C2	2.1032		2.1076	1.3249	2.1386	1.5002	3.4634	2.7513	2.5287	1.0827	2.1303	3.2588
H3	1.8378	2.1076		1.0819	3.5032	2.7576	4.5475	3.7366	3.8533	3.0615	2.4135	5.1171
C4	1.0801	1.3249	1.0819		3.1995	2.4970	4.4381	3.5125	3.5657	2.0845	2.6097	4.5030
H5	4.1122	2.1386	3.5032	3.1995		1.0913	2.4931	3.0494	2.1380	2.5613	1.7562	2.9047
C6	3.4844	1.5002	2.7576	2.4970	1.0913		2.1618	2.1633	1.5214	2.2047	1.0918	2.7519
H7	5.4035	3.4634	4.5475	4.4381	2.4931	2.1618		1.7679	1.0852	3.8927	2.4204	2.3417
H8	4.3223	2.7513	3.7366	3.5125	3.0494	2.1633	1.7679		1.0851	3.1563	2.5146	2.3470
C9	4.4581	2.5287	3.8533	3.5657	2.1380	1.5214	1.0852	1.0851		2.8843	2.1209	1.7900
H10	2.4266	1.0827	3.0615	2.0845	2.5613	2.2047	3.8927	3.1563	2.8843		3.0814	2.9675
H11	3.6879	2.1303	2.4135	2.6097	1.7562	1.0918	2.4204	2.5146	2.1209	3.0814		3.6909
Cl12	5.1508	3.2588	5.1171	4.5030	2.9047	2.7519	2.3417	2.3470	1.7900	2.9675	3.6909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.643	H1	C4	H3	116.424
C2	C4	H3	121.932	C2	C6	H5	110.231
C2	C6	C9	113.628	C2	C6	H11	109.544
C4	C2	C6	124.115	C4	C2	H10	119.613
H5	C6	C9	108.716	H5	C6	H11	107.117
C6	C2	H10	116.272	C6	C9	H7	110.963
C6	C9	H8	111.080	C6	C9	Cl12	112.160
H7	C9	H8	109.087	H7	C9	Cl12	106.479
H8	C9	Cl12	106.866	C9	C6	H11	107.367

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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