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	hartrees
Energy at 0K	-616.940608
Energy at 298.15K	-616.950661
HF Energy	-616.202800
Nuclear repulsion energy	234.030642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3007	16.62
2	A	3201	3004	19.81
3	A	3187	2990	22.24
4	A	3181	2985	28.22
5	A	3154	2959	13.92
6	A	3137	2943	2.16
7	A	3108	2916	15.27
8	A	3106	2915	21.40
9	A	3092	2901	16.36
10	A	1568	1471	7.24
11	A	1559	1463	10.27
12	A	1557	1461	0.92
13	A	1550	1454	7.21
14	A	1541	1446	1.10
15	A	1480	1389	4.10
16	A	1478	1386	9.12
17	A	1454	1364	0.41
18	A	1383	1298	25.68
19	A	1371	1286	0.85
20	A	1322	1241	9.11
21	A	1230	1154	5.09
22	A	1177	1105	1.83
23	A	1145	1075	3.90
24	A	1084	1017	1.39
25	A	1047	982	9.13
26	A	1009	947	5.51
27	A	892	837	9.11
28	A	829	778	9.34
29	A	661	620	17.46
30	A	477	447	1.13
31	A	404	379	1.51
32	A	340	319	0.99
33	A	265	249	0.16
34	A	242	227	0.10
35	A	229	215	0.88
36	A	120	112	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	-1.346	1.443	-0.010
H2	-1.512	1.445	-1.091
H3	-2.291	1.209	0.487
H4	-1.027	2.445	0.298
C5	-0.272	0.434	0.361
H6	-0.135	0.407	1.444
Cl7	-0.854	-1.226	-0.070
C8	1.058	0.710	-0.324
H9	1.320	1.753	-0.101
H10	0.914	0.642	-1.408
C11	2.193	-0.209	0.118
H12	2.351	-0.143	1.200
H13	1.975	-1.250	-0.131
H14	3.127	0.074	-0.377

	C1	H2	H3	H4	C5	H6	Cl7	C8	H9	H10	C11	H12	H13	H14
C1		1.0936	1.0925	1.0955	1.5192	2.1579	2.7147	2.5333	2.6860	2.7756	3.9082	4.2009	4.2780	4.6929
H2	1.0936		1.7750	1.7781	2.1604	3.0667	2.9349	2.7817	3.0164	2.5754	4.2344	4.7639	4.5114	4.8906
H3	1.0925	1.7750		1.7773	2.1661	2.4923	2.8823	3.4820	3.6989	3.7660	4.7179	4.8873	4.9634	5.6032
H4	1.0955	1.7781	1.7773		2.1485	2.5029	3.6933	2.7828	2.4794	3.1504	4.1768	4.3498	4.7804	4.8309
C5	1.5192	2.1604	2.1661	2.1485		1.0929	1.8111	1.5216	2.1186	2.1397	2.5598	2.8141	2.8516	3.4975
H6	2.1579	3.0667	2.4923	2.5029	1.0929		2.3405	2.1543	2.5131	3.0480	2.7493	2.5575	3.1114	3.7510
Cl7	2.7147	2.9349	2.8823	3.6933	1.8111	2.3405		2.7332	3.6882	2.8993	3.2182	3.6136	2.8301	4.1993
C8	2.5333	2.7817	3.4820	2.7828	1.5216	2.1543	2.7332		1.0981	1.0960	1.5256	2.1722	2.1729	2.1653
H9	2.6860	3.0164	3.6989	2.4794	2.1186	2.5131	3.6882	1.0981		1.7628	2.1584	2.5192	3.0741	2.4824
H10	2.7756	2.5754	3.7660	3.1504	2.1397	3.0480	2.8993	1.0960	1.7628		2.1654	3.0791	2.5177	2.5069
C11	3.9082	4.2344	4.7179	4.1768	2.5598	2.7493	3.2182	1.5256	2.1584	2.1654		1.0953	1.0928	1.0941
H12	4.2009	4.7639	4.8873	4.3498	2.8141	2.5575	3.6136	2.1722	2.5192	3.0791	1.0953		1.7717	1.7709
H13	4.2780	4.5114	4.9634	4.7804	2.8516	3.1114	2.8301	2.1729	3.0741	2.5177	1.0928	1.7717		1.7721
H14	4.6929	4.8906	5.6032	4.8309	3.4975	3.7510	4.1993	2.1653	2.4824	2.5069	1.0941	1.7709	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.334	C1	C5	Cl7	108.887
C1	C5	C8	112.838	H2	C1	H3	108.569
H2	C1	H4	108.629	H2	C1	C5	110.488
H3	C1	H4	108.642	H3	C1	C5	111.016
H4	C1	C5	109.440	C5	C8	H9	106.828
C5	C8	H10	108.565	C5	C8	C11	114.289
H6	C5	Cl7	104.685	H6	C5	C8	109.888
Cl7	C5	C8	109.886	C8	C11	H12	110.883
C8	C11	H13	111.082	C8	C11	H14	110.403
H9	C8	H10	106.921	H9	C8	C11	109.625
H10	C8	C11	110.305	H12	C11	H13	108.137
H12	C11	H14	107.972	H13	C11	H14	108.255

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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