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	hartrees
Energy at 0K	-615.735119
Energy at 298.15K	-615.742361
HF Energy	-615.042968
Nuclear repulsion energy	212.087552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3298	3141	7.28
2	A	3206	3054	4.47
3	A	3199	3047	10.30
4	A	3189	3038	12.74
5	A	3188	3037	4.72
6	A	3134	2985	7.12
7	A	3085	2939	12.78
8	A	1702	1622	0.67
9	A	1490	1419	1.69
10	A	1484	1413	8.11
11	A	1455	1385	8.55
12	A	1402	1336	4.75
13	A	1331	1268	2.28
14	A	1304	1242	2.67
15	A	1267	1206	21.96
16	A	1206	1148	8.88
17	A	1128	1075	3.45
18	A	1052	1002	31.01
19	A	1019	970	14.33
20	A	979	932	3.30
21	A	938	893	29.45
22	A	894	852	7.35
23	A	736	701	32.22
24	A	656	625	5.03
25	A	465	443	3.31
26	A	324	308	1.26
27	A	306	292	0.84
28	A	290	276	2.75
29	A	267	254	0.49
30	A	100	95	0.15

Atom	x (Å)	y (Å)	z (Å)
H1	3.220	-0.776	0.429
C2	1.191	-0.125	0.434
H3	2.444	-0.485	-1.251
C4	2.347	-0.480	-0.160
H5	0.164	0.249	-1.409
C6	-0.021	0.327	-0.325
H7	-0.668	1.804	1.127
H8	-1.362	2.032	-0.506
H9	0.357	2.447	-0.195
C10	-0.455	1.741	0.047
H11	1.101	-0.134	1.529
Cl12	-1.390	-0.819	0.017

	H1	C2	H3	C4	H5	C6	H7	H8	H9	C10	H11	Cl12
H1		2.1314	1.8733	1.0941	3.7106	3.5059	4.7186	5.4544	4.3565	4.4709	2.4731	4.6282
C2	2.1314		2.1313	1.3474	2.1428	1.4998	2.7669	3.4713	2.7764	2.5179	1.0983	2.7043
H3	1.8733	2.1313		1.0958	2.4008	2.7561	4.5366	4.6229	3.7508	3.8788	3.1078	4.0519
C4	1.0941	1.3474	1.0958		2.6185	2.5071	3.9953	4.4922	3.5398	3.5812	2.1272	3.7557
H5	3.7106	2.1428	2.4008	2.6185		1.1023	3.0884	2.5138	2.5186	2.1745	3.1071	2.3632
C6	3.5059	1.4998	2.7561	2.5071	1.1023		2.1697	2.1763	2.1582	1.5254	2.2152	1.8166
H7	4.7186	2.7669	4.5366	3.9953	3.0884	2.1697		1.7885	1.7927	1.1022	2.6542	2.9372
H8	5.4544	3.4713	4.6229	4.4922	2.5138	2.1763	1.7885		1.7953	1.1012	3.8591	2.8981
H9	4.3565	2.7764	3.7508	3.5398	2.5186	2.1582	1.7927	1.7953		1.1033	3.1918	3.7097
C10	4.4709	2.5179	3.8788	3.5812	2.1745	1.5254	1.1022	1.1012	1.1033		2.8512	2.7249
H11	2.4731	1.0983	3.1078	2.1272	3.1071	2.2152	2.6542	3.8591	3.1918	2.8512		2.9925
Cl12	4.6282	2.7043	4.0519	3.7557	2.3632	1.8166	2.9372	2.8981	3.7097	2.7249	2.9925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.268	H1	C4	H3	117.616
C2	C4	H3	121.116	C2	C6	H5	109.927
C2	C6	C10	112.671	C2	C6	Cl12	108.882
C4	C2	C6	123.327	C4	C2	H11	120.523
H5	C6	C10	110.662	H5	C6	Cl12	105.490
C6	C2	H11	116.137	C6	C10	H7	110.284
C6	C10	H8	110.876	C6	C10	H9	109.323
H7	C10	H8	108.527	H7	C10	H9	108.741
H8	C10	H9	109.050	C10	C6	Cl12	108.936

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-chloro-)

using model chemistry: MP2/cc-pVDZ

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 CH2CHCHClCH3 (1-Butene, 3-chloro-)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-chloro-)