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	hartrees
Energy at 0K	-615.712700
Energy at 298.15K	-615.720076
HF Energy	-615.019574
Nuclear repulsion energy	212.840510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3371	3157	1.99
2	A'	3266	3059	0.22
3	A'	3233	3028	19.56
4	A'	3136	2937	16.68
5	A'	3127	2928	11.21
6	A'	1727	1618	28.02
7	A'	1570	1470	3.72
8	A'	1536	1438	4.83
9	A'	1476	1382	2.21
10	A'	1459	1366	2.06
11	A'	1417	1327	6.96
12	A'	1193	1117	57.00
13	A'	1112	1041	2.17
14	A'	1054	987	2.32
15	A'	906	849	8.19
16	A'	710	665	23.22
17	A'	436	409	0.88
18	A'	371	347	2.40
19	A'	261	245	0.36
20	A"	3234	3029	22.73
21	A"	3174	2972	7.08
22	A"	1557	1458	6.14
23	A"	1329	1245	0.39
24	A"	1149	1076	1.00
25	A"	887	830	43.42
26	A"	829	776	0.76
27	A"	718	673	0.06
28	A"	441	413	4.13
29	A"	284	266	0.02
30	A"	98	91	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	2.089	-1.143	0.000
H2	2.422	-2.180	0.000
H3	2.500	-0.657	0.883
H4	2.500	-0.657	-0.883
C5	0.568	-1.087	0.000
H6	0.172	-1.613	-0.872
H7	0.172	-1.613	0.872
C8	0.682	1.452	0.000
H9	1.761	1.442	0.000
C10	0.000	0.303	0.000
Cl11	-1.749	0.337	0.000
H12	0.180	2.406	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.0885	1.0888	1.0888	1.5225	2.1574	2.1574	2.9517	2.6061	2.5406	4.1139	4.0303
H2	1.0885		1.7618	1.7618	2.1529	2.4786	2.4786	4.0266	3.6815	3.4684	4.8720	5.1047
H3	1.0888	1.7618		1.7656	2.1680	3.0682	2.5169	2.9208	2.3941	2.8200	4.4529	3.9428
H4	1.0888	1.7618	1.7656		2.1680	2.5169	3.0682	2.9208	2.3941	2.8200	4.4529	3.9428
C5	1.5225	2.1529	2.1680	2.1680		1.0925	1.0925	2.5408	2.7961	1.5008	2.7193	3.5145
H6	2.1574	2.4786	3.0682	2.5169	1.0925		1.7437	3.2270	3.5523	2.1121	2.8734	4.1133
H7	2.1574	2.4786	2.5169	3.0682	1.0925	1.7437		3.2270	3.5523	2.1121	2.8734	4.1133
C8	2.9517	4.0266	2.9208	2.9208	2.5408	3.2270	3.2270		1.0787	1.3361	2.6749	1.0787
H9	2.6061	3.6815	2.3941	2.3941	2.7961	3.5523	3.5523	1.0787		2.0973	3.6801	1.8514
C10	2.5406	3.4684	2.8200	2.8200	1.5008	2.1121	2.1121	1.3361	2.0973		1.7498	2.1115
Cl11	4.1139	4.8720	4.4529	4.4529	2.7193	2.8734	2.8734	2.6749	3.6801	1.7498		2.8298
H12	4.0303	5.1047	3.9428	3.9428	3.5145	4.1133	4.1133	1.0787	1.8514	2.1115	2.8298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.088	C1	C5	H7	110.088
C1	C5	C10	114.351	H2	C1	H3	108.033
H2	C1	H4	108.033	H2	C1	C5	109.972
H3	C1	H4	108.359	H3	C1	C5	111.166
H4	C1	C5	111.166	C5	C10	C8	127.083
C5	C10	Cl11	113.335	H6	C5	H7	105.879
H6	C5	C10	108.030	H7	C5	C10	108.030
C8	C10	Cl11	119.582	H9	C8	C10	120.194
H9	C8	H12	118.223	C10	C8	H12	121.583

All results from a given calculation for CH₂CClCH₂CH₃ (1-Butene, 2-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 CH2CClCH2CH3 (1-Butene, 2-chloro-)

using model chemistry: MP2/6-31G**

States and conformations

All results from a given calculation for CH₂CClCH₂CH₃ (1-Butene, 2-chloro-)