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	hartrees
Energy at 0K	-615.329306
Energy at 298.15K	-615.336606
HF Energy	-614.925342
Nuclear repulsion energy	202.945431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3260	3119	21.60
2	A	3217	3078	10.01
3	A	3187	3049	3.84
4	A	3162	3026	11.89
5	A	3138	3003	19.13
6	A	3096	2962	10.88
7	A	3036	2905	16.47
8	A	1696	1623	2.84
9	A	1549	1482	4.08
10	A	1544	1477	8.59
11	A	1516	1450	2.91
12	A	1419	1358	4.09
13	A	1376	1316	37.46
14	A	1366	1307	5.96
15	A	1295	1239	0.58
16	A	1214	1162	0.17
17	A	1166	1116	2.05
18	A	1067	1021	3.31
19	A	1043	998	24.26
20	A	1025	981	4.64
21	A	950	909	42.20
22	A	933	893	15.10
23	A	835	799	2.57
24	A	677	648	13.30
25	A	621	594	27.01
26	A	455	436	1.78
27	A	363	348	0.57
28	A	247	236	2.02
29	A	124	119	2.44
30	A	76	73	0.26

Atom	x (Å)	y (Å)	z (Å)
H1	3.280	-1.326	-0.427
C2	1.447	-0.439	0.222
H3	3.223	0.525	-0.484
C4	2.713	-0.413	-0.255
H5	0.312	0.851	1.536
C6	0.610	0.801	0.477
H7	-1.190	1.832	-0.242
H8	-0.410	0.767	-1.463
C9	-0.643	0.899	-0.403
H10	0.970	-1.396	0.443
H11	1.221	1.698	0.270
Cl12	-1.892	-0.473	0.007

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1371	1.8528	1.0888	4.1719	3.5310	5.4757	4.3671	4.5104	2.4694	3.7244	5.2600
C2	2.1371		2.1398	1.3527	2.1633	1.5173	3.5106	2.7828	2.5597	1.0922	2.1492	3.3469
H3	1.8528	2.1398		1.0915	3.5581	2.7970	4.6080	3.7701	3.8846	3.1021	2.4397	5.2345
C4	1.0888	1.3527	1.0915		3.2513	2.5356	4.5018	3.5501	3.6063	2.1193	2.6376	4.6130
H5	4.1719	2.1633	3.5581	3.2513		1.1012	2.5248	3.0856	2.1620	2.5842	1.7737	2.9916
C6	3.5310	1.5173	2.7970	2.5356	1.1012		2.1953	2.1924	1.5350	2.2263	1.1045	2.8475
H7	5.4757	3.5106	4.6080	4.5018	2.5248	2.1953		1.7980	1.0928	3.9433	2.4673	2.4228
H8	4.3671	2.7828	3.7701	3.5501	3.0856	2.1924	1.7980		1.0929	3.1960	2.5550	2.4283
C9	4.5104	2.5597	3.8846	3.6063	2.1620	1.5350	1.0928	1.0929		2.9302	2.1363	1.9010
H10	2.4694	1.0922	3.1021	2.1193	2.5842	2.2263	3.9433	3.1960	2.9302		3.1088	3.0386
H11	3.7244	2.1492	2.4397	2.6376	1.7737	1.1045	2.4673	2.5550	2.1363	3.1088		3.8044
Cl12	5.2600	3.3469	5.2345	4.6130	2.9916	2.8475	2.4228	2.4283	1.9010	3.0386	3.8044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.790	H1	C4	H3	116.377
C2	C4	H3	121.832	C2	C6	H5	110.400
C2	C6	C9	113.988	C2	C6	H11	109.100
C4	C2	C6	124.029	C4	C2	H10	119.812
H5	C6	C9	109.090	H5	C6	H11	107.050
C6	C2	H10	116.158	C6	C9	H7	112.223
C6	C9	H8	111.985	C6	C9	Cl12	111.496
H7	C9	H8	110.697	H7	C9	Cl12	104.808
H8	C9	Cl12	105.181	C9	C6	H11	106.932

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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