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	hartrees
Energy at 0K	-577.875023
Energy at 298.15K	-577.882860
HF Energy	-577.225233
Nuclear repulsion energy	166.120610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3023	29.91
2	A'	3149	3007	42.94
3	A'	3122	2982	2.22
4	A'	3068	2930	18.75
5	A'	1527	1458	6.37
6	A'	1519	1451	5.94
7	A'	1455	1390	5.02
8	A'	1352	1291	36.92
9	A'	1216	1161	11.37
10	A'	1116	1066	12.74
11	A'	932	890	8.48
12	A'	676	646	21.96
13	A'	432	412	1.30
14	A'	347	332	0.67
15	A'	290	277	0.06
16	A"	3160	3018	14.04
17	A"	3141	3000	1.16
18	A"	3063	2926	12.84
19	A"	1508	1440	0.94
20	A"	1506	1439	0.74
21	A"	1443	1378	9.07
22	A"	1382	1320	1.29
23	A"	1179	1126	1.45
24	A"	978	934	0.00
25	A"	957	914	0.85
26	A"	335	320	1.25
27	A"	253	241	0.04

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.882	1.015	0.000
C2	0.564	-0.060	0.000
C3	0.564	-0.901	1.270
C4	0.564	-0.901	-1.270
H5	1.423	0.615	0.000
H6	1.460	-1.533	1.291
H7	1.460	-1.533	-1.291
H8	0.561	-0.268	2.161
H9	0.561	-0.268	-2.161
H10	-0.320	-1.546	1.299
H11	-0.320	-1.546	-1.299

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8020	2.7159	2.7159	2.3394	3.6939	3.6939	2.8981	2.8981	2.9257	2.9257
C2	1.8020		1.5233	1.5233	1.0928	2.1539	2.1539	2.1714	2.1714	2.1625	2.1625
C3	2.7159	1.5233		2.5406	2.1565	1.0965	2.7863	1.0934	3.4897	1.0948	2.7930
C4	2.7159	1.5233	2.5406		2.1565	2.7863	1.0965	3.4897	1.0934	2.7930	1.0948
H5	2.3394	1.0928	2.1565	2.1565		2.5069	2.5069	2.4888	2.4888	3.0654	3.0654
H6	3.6939	2.1539	1.0965	2.7863	2.5069		2.5826	1.7796	3.7856	1.7804	3.1434
H7	3.6939	2.1539	2.7863	1.0965	2.5069	2.5826		3.7856	1.7796	3.1434	1.7804
H8	2.8981	2.1714	1.0934	3.4897	2.4888	1.7796	3.7856		4.3229	1.7757	3.7930
H9	2.8981	2.1714	3.4897	1.0934	2.4888	3.7856	1.7796	4.3229		3.7930	1.7757
H10	2.9257	2.1625	1.0948	2.7930	3.0654	1.7804	3.1434	1.7757	3.7930		2.5987
H11	2.9257	2.1625	2.7930	1.0948	3.0654	3.1434	1.7804	3.7930	1.7757	2.5987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.231	Cl1	C2	C4	109.231
Cl1	C3	H5	55.979	C2	C3	H6	109.522
C2	C3	H8	111.094	C2	C3	H10	110.300
C2	C4	H7	109.522	C2	C4	H9	111.094
C2	C4	H11	110.300	C3	C2	C4	113.004
C3	C2	H5	109.947	C4	C2	H5	109.947
H6	C3	H8	108.707	H6	C3	H10	108.676
H7	C4	H9	108.707	H7	C4	H11	108.676
H8	C3	H10	108.488	H9	C4	H11	108.488

All results from a given calculation for CH₃CHClCH₃ (Propane, 2-chloro-)

using model chemistry: CCD/6-311G**

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 CH3CHClCH3 (Propane, 2-chloro-)

using model chemistry: CCD/6-311G**

States and conformations

All results from a given calculation for CH₃CHClCH₃ (Propane, 2-chloro-)