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	hartrees
Energy at 0K	-615.806600
Energy at 298.15K	-615.813987
HF Energy	-615.084083
Nuclear repulsion energy	207.902942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3291	3119	11.39
2	A	3216	3048	2.90
3	A	3208	3041	9.03
4	A	3191	3025	7.29
5	A	3142	2978	26.10
6	A	3130	2967	4.11
7	A	3079	2919	15.80
8	A	1706	1617	4.71
9	A	1502	1424	3.65
10	A	1492	1414	12.91
11	A	1473	1397	3.00
12	A	1391	1318	1.05
13	A	1377	1305	39.19
14	A	1333	1263	2.23
15	A	1281	1214	0.27
16	A	1213	1150	0.05
17	A	1157	1097	3.18
18	A	1064	1008	2.43
19	A	1025	971	16.97
20	A	1016	963	12.68
21	A	924	876	13.22
22	A	889	843	41.43
23	A	840	796	3.68
24	A	708	672	18.62
25	A	663	628	12.97
26	A	466	442	1.52
27	A	357	338	0.42
28	A	259	245	1.66
29	A	134	127	1.94
30	A	88	83	0.06

Atom	x (Å)	y (Å)	z (Å)
H1	-3.235	-1.269	0.342
C2	-1.411	-0.252	0.289
H3	-3.144	0.151	-0.806
C4	-2.678	-0.469	-0.084
H5	-0.489	0.743	-1.350
C6	-0.581	0.851	-0.270
H7	1.374	1.767	-0.037
H8	0.770	0.944	1.408
C9	0.825	0.899	0.324
H10	-0.980	-0.898	1.014
H11	-1.050	1.817	-0.062
Cl12	1.754	-0.555	-0.122

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.0896	1.8289	1.0635	3.8021	3.4519	5.5317	4.6989	4.6033	2.3823	3.8031	5.0613
C2	2.0896		2.0895	1.3394	2.1278	1.4892	3.4542	2.7275	2.5151	1.0623	2.1294	3.2058
H3	1.8289	2.0895		1.0600	2.7742	2.7102	4.8588	4.5665	4.1941	3.0160	2.7769	4.9957
C4	1.0635	1.3394	1.0600		2.8052	2.4857	4.6283	4.0149	3.7837	2.0674	2.8072	4.4336
H5	3.8021	2.1278	2.7742	2.8052		1.0895	2.4980	3.0388	2.1339	2.9196	1.7684	2.8679
C6	3.4519	1.4892	2.7102	2.4857	1.0895		2.1708	2.1567	1.5274	2.2063	1.0938	2.7301
H7	5.5317	3.4542	4.8588	4.6283	2.4980	2.1708		1.7687	1.0875	3.7070	2.4246	2.3543
H8	4.6989	2.7275	4.5665	4.0149	3.0388	2.1567	1.7687		1.0867	2.5713	2.4981	2.3575
C9	4.6033	2.5151	4.1941	3.7837	2.1339	1.5274	1.0875	1.0867		2.6391	2.1238	1.7824
H10	2.3823	1.0623	3.0160	2.0674	2.9196	2.2063	3.7070	2.5713	2.6391		2.9216	2.9804
H11	3.8031	2.1294	2.7769	2.8072	1.7684	1.0938	2.4246	2.4981	2.1238	2.9216		3.6739
Cl12	5.0613	3.2058	4.9957	4.4336	2.8679	2.7301	2.3543	2.3575	1.7824	2.9804	3.6739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	120.401	H1	C4	H3	118.925
C2	C4	H3	120.674	C2	C6	H5	110.243
C2	C6	C9	112.968	C2	C6	H11	110.109
C4	C2	C6	122.898	C4	C2	H10	118.364
H5	C6	C9	108.093	H5	C6	H11	108.186
C6	C2	H10	118.737	C6	C9	H7	111.114
C6	C9	H8	110.036	C6	C9	Cl12	110.914
H7	C9	H8	108.875	H7	C9	Cl12	107.765
H8	C9	Cl12	108.043	C9	C6	H11	107.078

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

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

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