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	hartrees
Energy at 0K	-40.956119
Energy at 298.15K	-40.963217
HF Energy	-40.595038
Nuclear repulsion energy	89.195283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3160	14.04
2	A'	3167	3061	5.76
3	A'	3139	3033	50.97
4	A'	3050	2947	22.36
5	A'	3037	2935	36.93
6	A'	1656	1601	28.64
7	A'	1537	1485	4.55
8	A'	1516	1465	7.63
9	A'	1460	1411	3.17
10	A'	1443	1394	4.39
11	A'	1399	1352	5.81
12	A'	1151	1113	64.75
13	A'	1091	1054	3.07
14	A'	1022	987	4.51
15	A'	869	839	5.14
16	A'	642	620	26.24
17	A'	404	390	1.81
18	A'	343	332	2.50
19	A'	243	235	0.61
20	A"	3147	3041	72.87
21	A"	3110	3005	12.02
22	A"	1527	1475	7.67
23	A"	1298	1254	0.18
24	A"	1147	1108	2.11
25	A"	831	803	3.12
26	A"	788	762	79.43
27	A"	677	654	0.45
28	A"	415	401	7.84
29	A"	265	256	0.05
30	A"	81	78	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	2.269	-0.966	0.000
H2	2.702	-1.990	0.000
H3	2.639	-0.434	0.901
H4	2.639	-0.434	-0.901
C5	0.702	-1.067	0.000
H6	0.359	-1.634	-0.893
H7	0.359	-1.634	0.893
C8	0.569	1.569	0.000
H9	1.662	1.679	0.000
C10	0.000	0.306	0.000
Cl11	-1.856	0.172	0.000
H12	-0.046	2.480	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.1111	1.1104	1.1104	1.5702	2.2119	2.2119	3.0533	2.7143	2.6017	4.2796	4.1514
H2	1.1111		1.7992	1.7992	2.2022	2.5323	2.5323	4.1496	3.8135	3.5457	5.0446	5.2464
H3	1.1104	1.7992		1.8026	2.2284	3.1402	2.5769	3.0189	2.4965	2.8856	4.6249	4.0633
H4	1.1104	1.7992	1.8026		2.2284	2.5769	3.1402	3.0189	2.4965	2.8856	4.6249	4.0633
C5	1.5702	2.2022	2.2284	2.2284		1.1123	1.1123	2.6400	2.9092	1.5426	2.8426	3.6248
H6	2.2119	2.5323	3.1402	2.5769	1.1123		1.7866	3.3324	3.6706	2.1662	2.9945	4.2291
H7	2.2119	2.5323	2.5769	3.1402	1.1123	1.7866		3.3324	3.6706	2.1662	2.9945	4.2291
C8	3.0533	4.1496	3.0189	3.0189	2.6400	3.3324	3.3324		1.0989	1.3853	2.7990	1.0981
H9	2.7143	3.8135	2.4965	2.4965	2.9092	3.6706	3.6706	1.0989		2.1557	3.8277	1.8860
C10	2.6017	3.5457	2.8856	2.8856	1.5426	2.1662	2.1662	1.3853	2.1557		1.8611	2.1738
Cl11	4.2796	5.0446	4.6249	4.6249	2.8426	2.9945	2.9945	2.7990	3.8277	1.8611		2.9334
H12	4.1514	5.2464	4.0633	4.0633	3.6248	4.2291	4.2291	1.0981	1.8860	2.1738	2.9334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.911	C1	C5	H7	109.911
C1	C5	C10	113.403	H2	C1	H3	108.175
H2	C1	H4	108.175	H2	C1	C5	109.232
H3	C1	H4	108.531	H3	C1	C5	111.312
H4	C1	C5	111.312	C5	C10	C8	128.681
C5	C10	Cl11	112.934	H6	C5	H7	106.857
H6	C5	C10	108.265	H7	C5	C10	108.265
C8	C10	Cl11	118.385	H9	C8	C10	119.967
H9	C8	H12	118.289	C10	C8	H12	121.744

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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