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	hartrees
Energy at 0K	-617.027718
Energy at 298.15K	-617.037753
HF Energy	-616.218876
Nuclear repulsion energy	234.333188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3234	3013	19.71
2	A	3231	3010	23.17
3	A	3215	2996	28.13
4	A	3210	2991	31.60
5	A	3180	2962	16.23
6	A	3164	2948	1.69
7	A	3131	2917	12.77
8	A	3131	2916	36.43
9	A	3119	2905	19.36
10	A	1561	1454	6.17
11	A	1551	1445	9.45
12	A	1547	1442	2.20
13	A	1541	1435	7.17
14	A	1533	1428	0.79
15	A	1475	1374	2.76
16	A	1474	1373	7.93
17	A	1449	1350	0.37
18	A	1375	1281	27.56
19	A	1364	1271	1.57
20	A	1316	1226	9.97
21	A	1225	1141	4.96
22	A	1174	1094	1.75
23	A	1141	1063	3.65
24	A	1079	1005	1.63
25	A	1043	971	5.96
26	A	1003	935	3.69
27	A	889	829	9.37
28	A	824	768	7.42
29	A	660	615	18.66
30	A	474	441	1.00
31	A	404	376	1.45
32	A	337	314	0.80
33	A	260	242	0.12
34	A	238	222	0.13
35	A	224	209	0.71
36	A	113	105	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	-1.344	1.444	-0.010
H2	-1.510	1.450	-1.085
H3	-2.284	1.214	0.484
H4	-1.023	2.439	0.298
C5	-0.272	0.434	0.358
H6	-0.134	0.409	1.437
Cl7	-0.855	-1.226	-0.070
C8	1.059	0.709	-0.324
H9	1.319	1.745	-0.096
H10	0.919	0.644	-1.403
C11	2.192	-0.211	0.118
H12	2.344	-0.147	1.195
H13	1.976	-1.246	-0.133
H14	3.122	0.072	-0.371

	C1	H2	H3	H4	C5	H6	Cl7	C8	H9	H10	C11	H12	H13	H14
C1		1.0882	1.0867	1.0898	1.5180	2.1514	2.7150	2.5321	2.6810	2.7751	3.9057	4.1933	4.2751	4.6858
H2	1.0882		1.7656	1.7693	2.1557	3.0557	2.9356	2.7796	3.0112	2.5782	4.2314	4.7540	4.5085	4.8848
H3	1.0867	1.7656		1.7681	2.1613	2.4857	2.8811	3.4758	3.6877	3.7609	4.7112	4.8762	4.9582	5.5910
H4	1.0898	1.7693	1.7681		2.1419	2.4916	3.6871	2.7774	2.4740	3.1443	4.1697	4.3390	4.7710	4.8196
C5	1.5180	2.1557	2.1613	2.1419		1.0878	1.8103	1.5206	2.1113	2.1370	2.5583	2.8077	2.8497	3.4907
H6	2.1514	3.0557	2.4857	2.4916	1.0878		2.3374	2.1476	2.4992	3.0384	2.7447	2.5513	3.1079	3.7394
Cl7	2.7150	2.9356	2.8811	3.6871	1.8103	2.3374		2.7330	3.6814	2.9022	3.2171	3.6055	2.8323	4.1947
C8	2.5321	2.7796	3.4758	2.7774	1.5206	2.1476	2.7330		1.0925	1.0908	1.5243	2.1656	2.1678	2.1598
H9	2.6810	3.0112	3.6877	2.4740	2.1113	2.4992	3.6814	1.0925		1.7552	2.1521	2.5092	3.0627	2.4747
H10	2.7751	2.5782	3.7609	3.1443	2.1370	3.0384	2.9022	1.0908	1.7552		2.1600	3.0674	2.5111	2.4997
C11	3.9057	4.2314	4.7112	4.1697	2.5583	2.7447	3.2171	1.5243	2.1521	2.1600		1.0897	1.0871	1.0883
H12	4.1933	4.7540	4.8762	4.3390	2.8077	2.5513	3.6055	2.1656	2.5092	3.0674	1.0897		1.7629	1.7618
H13	4.2751	4.5085	4.9582	4.7710	2.8497	3.1079	2.8323	2.1678	3.0627	2.5111	1.0871	1.7629		1.7630
H14	4.6858	4.8848	5.5910	4.8196	3.4907	3.7394	4.1947	2.1598	2.4747	2.4997	1.0883	1.7618	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.209	C1	C5	Cl7	109.002
C1	C5	C8	112.880	H2	C1	H3	108.555
H2	C1	H4	108.649	H2	C1	C5	110.526
H3	C1	H4	108.653	H3	C1	C5	111.064
H4	C1	C5	109.338	C5	C8	H9	106.647
C5	C8	H10	108.722	C5	C8	C11	114.321
H6	C5	Cl7	104.747	H6	C5	C8	109.723
Cl7	C5	C8	109.963	C8	C11	H12	110.787
C8	C11	H13	111.117	C8	C11	H14	110.406
H9	C8	H10	107.019	H9	C8	C11	109.553
H10	C8	C11	110.275	H12	C11	H13	108.166
H12	C11	H14	107.985	H13	C11	H14	108.273

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

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

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/6-31+G**

States and conformations

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