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	hartrees
Energy at 0K	-616.532719
Energy at 298.15K	-616.542660
HF Energy	-616.119711
Nuclear repulsion energy	228.986494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3035	21.95
2	A	3167	3030	22.06
3	A	3149	3013	27.89
4	A	3143	3007	33.75
5	A	3131	2996	3.34
6	A	3098	2964	5.94
7	A	3064	2931	17.58
8	A	3062	2930	24.40
9	A	3040	2909	20.09
10	A	1580	1512	7.50
11	A	1571	1503	8.71
12	A	1569	1501	3.37
13	A	1560	1493	7.31
14	A	1550	1483	1.53
15	A	1490	1425	9.57
16	A	1488	1424	3.50
17	A	1444	1381	0.96
18	A	1386	1326	3.06
19	A	1370	1311	19.61
20	A	1315	1258	19.09
21	A	1232	1179	9.80
22	A	1170	1119	2.63
23	A	1137	1088	1.61
24	A	1066	1020	0.13
25	A	1055	1010	10.05
26	A	1016	973	7.39
27	A	872	834	7.81
28	A	833	797	11.91
29	A	582	557	24.81
30	A	470	450	1.48
31	A	384	367	2.85
32	A	327	313	1.47
33	A	252	241	0.23
34	A	235	225	0.12
35	A	220	211	1.25
36	A	116	111	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-1.280	1.544	-0.011
H2	-1.450	1.547	-1.095
H3	-2.235	1.352	0.492
H4	-0.917	2.538	0.292
C5	-0.234	0.492	0.367
H6	-0.102	0.433	1.454
Cl7	-0.950	-1.236	-0.068
C8	1.117	0.675	-0.336
H9	1.435	1.712	-0.133
H10	0.964	0.594	-1.424
C11	2.222	-0.299	0.122
H12	2.387	-0.220	1.207
H13	1.952	-1.337	-0.110
H14	3.169	-0.068	-0.383

	C1	H2	H3	H4	C5	H6	Cl7	C8	H9	H10	C11	H12	H13	H14
C1		1.0978	1.0964	1.1004	1.5307	2.1830	2.8004	2.5701	2.7230	2.8167	3.9598	4.2473	4.3302	4.7469
H2	1.0978		1.7814	1.7859	2.1750	3.0912	3.0091	2.8153	3.0459	2.6163	4.2870	4.8111	4.5674	4.9453
H3	1.0964	1.7814		1.7841	2.1818	2.5141	2.9440	3.5187	3.7406	3.8053	4.7681	4.9345	5.0125	5.6564
H4	1.1004	1.7859	1.7841		2.1583	2.5386	3.7915	2.8288	2.5288	3.2030	4.2348	4.3998	4.8376	4.8934
C5	1.5307	2.1750	2.1818	2.1583		1.0962	1.9205	1.5341	2.1276	2.1572	2.5923	2.8431	2.8895	3.5302
H6	2.1830	3.0912	2.5141	2.5386	1.0962		2.4125	2.1792	2.5531	3.0728	2.7770	2.5853	3.1296	3.7855
Cl7	2.8004	3.0091	2.9440	3.7915	1.9205	2.4125		2.8279	3.7933	2.9757	3.3134	3.7143	2.9040	4.2938
C8	2.5701	2.8153	3.5187	2.8288	1.5341	2.1792	2.8279		1.1042	1.1009	1.5431	2.1898	2.1895	2.1834
H9	2.7230	3.0459	3.7406	2.5288	2.1276	2.5531	3.7933	1.1042		1.7712	2.1751	2.5366	3.0924	2.4979
H10	2.8167	2.6163	3.8053	3.2030	2.1572	3.0728	2.9757	1.1009	1.7712		2.1843	3.0995	2.5358	2.5266
C11	3.9598	4.2870	4.7681	4.2348	2.5923	2.7770	3.3134	1.5431	2.1751	2.1843		1.0999	1.0968	1.0985
H12	4.2473	4.8111	4.9345	4.3998	2.8431	2.5853	3.7143	2.1898	2.5366	3.0995	1.0999		1.7806	1.7789
H13	4.3302	4.5674	5.0125	4.8376	2.8895	3.1296	2.9040	2.1895	3.0924	2.5358	1.0968	1.7806		1.7797
H14	4.7469	4.9453	5.6564	4.8934	3.5302	3.7855	4.2938	2.1834	2.4979	2.5266	1.0985	1.7789	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.336	C1	C5	Cl7	107.942
C1	C5	C8	113.978	H2	C1	H3	108.551
H2	C1	H4	108.663	H2	C1	C5	110.603
H3	C1	H4	108.605	H3	C1	C5	111.226
H4	C1	C5	109.134	C5	C8	H9	106.356
C5	C8	H10	108.788	C5	C8	C11	114.792
H6	C5	Cl7	102.767	H6	C5	C8	110.786
Cl7	C5	C8	109.376	C8	C11	H12	110.781
C8	C11	H13	110.943	C8	C11	H14	110.357
H9	C8	H10	106.884	H9	C8	C11	109.379
H10	C8	C11	110.289	H12	C11	H13	108.304
H12	C11	H14	108.033	H13	C11	H14	108.328

All results from a given calculation for CH₃CHClCH₂CH₃ (Butane, 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 CH3CHClCH2CH3 (Butane, 2-chloro-)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for CH₃CHClCH₂CH₃ (Butane, 2-chloro-)