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	hartrees
Energy at 0K	-615.796531
Energy at 298.15K	-615.803927
HF Energy	-615.023469
Nuclear repulsion energy	207.604084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3334	3106	15.35
2	A	3265	3042	3.38
3	A	3251	3029	9.25
4	A	3239	3018	9.39
5	A	3187	2969	27.90
6	A	3171	2954	4.93
7	A	3123	2909	17.42
8	A	1762	1641	5.31
9	A	1538	1433	3.32
10	A	1531	1426	12.59
11	A	1508	1405	2.37
12	A	1414	1317	1.06
13	A	1396	1301	44.00
14	A	1356	1263	2.45
15	A	1302	1213	0.16
16	A	1228	1144	0.03
17	A	1172	1092	2.77
18	A	1078	1004	3.49
19	A	1047	976	22.62
20	A	1032	961	7.38
21	A	946	881	43.47
22	A	939	875	14.26
23	A	848	790	3.04
24	A	716	667	20.31
25	A	672	626	14.59
26	A	467	435	1.46
27	A	361	337	0.41
28	A	256	238	1.51
29	A	129	120	1.88
30	A	80	74	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	3.244	-1.286	-0.411
C2	1.417	-0.425	0.210
H3	3.175	0.551	-0.457
C4	2.674	-0.384	-0.244
H5	0.285	0.838	1.513
C6	0.575	0.793	0.462
H7	-1.211	1.785	-0.239
H8	-0.437	0.746	-1.448
C9	-0.680	0.852	-0.395
H10	0.950	-1.381	0.415
H11	1.160	1.690	0.246
Cl12	-1.828	-0.468	0.011

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1130	1.8388	1.0798	4.1198	3.4939	5.4140	4.3308	4.4691	2.4402	3.6919	5.1555
C2	2.1130		2.1181	1.3370	2.1393	1.5022	3.4634	2.7492	2.5293	1.0830	2.1309	3.2520
H3	1.8388	2.1181		1.0820	3.5091	2.7674	4.5612	3.7504	3.8671	3.0724	2.4185	5.1271
C4	1.0798	1.3370	1.0820		3.2078	2.5079	4.4499	3.5225	3.5783	2.0974	2.6142	4.5106
H5	4.1198	2.1393	3.5091	3.2078		1.0910	2.4903	3.0488	2.1383	2.5635	1.7594	2.9032
C6	3.4939	1.5022	2.7674	2.5079	1.0910		2.1603	2.1624	1.5217	2.2064	1.0919	2.7520
H7	5.4140	3.4634	4.5612	4.4499	2.4903	2.1603		1.7724	1.0849	3.8887	2.4220	2.3497
H8	4.3308	2.7492	3.7504	3.5225	3.0488	2.1624	1.7724		1.0853	3.1493	2.5123	2.3528
C9	4.4691	2.5293	3.8671	3.5783	2.1383	1.5217	1.0849	1.0853		2.8812	2.1212	1.7961
H10	2.4402	1.0830	3.0724	2.0974	2.5635	2.2064	3.8887	3.1493	2.8812		3.0822	2.9526
H11	3.6919	2.1309	2.4185	2.6142	1.7594	1.0919	2.4220	2.5123	2.1212	3.0822		3.6935
Cl12	5.1555	3.2520	5.1271	4.5106	2.9032	2.7520	2.3497	2.3528	1.7961	2.9526	3.6935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.558	H1	C4	H3	116.560
C2	C4	H3	121.881	C2	C6	H5	110.159
C2	C6	C9	113.524	C2	C6	H11	109.438
C4	C2	C6	123.979	C4	C2	H10	119.784
H5	C6	C9	108.733	H5	C6	H11	107.411
C6	C2	H10	116.237	C6	C9	H7	110.831
C6	C9	H8	110.976	C6	C9	Cl12	111.815
H7	C9	H8	109.505	H7	C9	Cl12	106.666
H8	C9	Cl12	106.874	C9	C6	H11	107.363

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

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 CH2CHCH2CH2Cl (1-Butene, 4-chloro-)

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

States and conformations

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