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	hartrees
Energy at 0K	-578.053179
Energy at 298.15K	-578.060875
HF Energy	-577.249713
Nuclear repulsion energy	166.021818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3137	3058
2	A'	3118	3040
3	A'	3092	3014
4	A'	3040	2963
5	A'	1511	1473
6	A'	1498	1460
7	A'	1420	1384
8	A'	1292	1259
9	A'	1191	1161
10	A'	1083	1055
11	A'	909	886
12	A'	642	626
13	A'	418	408
14	A'	333	325
15	A'	269	262
16	A"	3133	3054
17	A"	3111	3032
18	A"	3037	2960
19	A"	1491	1454
20	A"	1487	1449
21	A"	1407	1372
22	A"	1363	1329
23	A"	1158	1129
24	A"	955	931
25	A"	937	914
26	A"	320	311
27	A"	233	227

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.892	1.013	0.000
C2	0.572	-0.060	0.000
C3	0.572	-0.900	1.266
C4	0.572	-0.900	-1.266
H5	1.416	0.629	0.000
H6	1.472	-1.520	1.293
H7	1.472	-1.520	-1.293
H8	0.555	-0.270	2.156
H9	0.555	-0.270	-2.156
H10	-0.302	-1.554	1.286
H11	-0.302	-1.554	-1.286

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8150	2.7211	2.7211	2.3402	3.6980	3.6980	2.8959	2.8959	2.9305	2.9305
C2	1.8150		1.5194	1.5194	1.0896	2.1478	2.1478	2.1660	2.1660	2.1561	2.1561
C3	2.7211	1.5194		2.5327	2.1570	1.0934	2.7830	1.0899	3.4796	1.0916	2.7760
C4	2.7211	1.5194	2.5327		2.1570	2.7830	1.0934	3.4796	1.0899	2.7760	1.0916
H5	2.3402	1.0896	2.1570	2.1570		2.5082	2.5082	2.4894	2.4894	3.0609	3.0609
H6	3.6980	2.1478	1.0934	2.7830	2.5082		2.5861	1.7741	3.7812	1.7745	3.1306
H7	3.6980	2.1478	2.7830	1.0934	2.5082	2.5861		3.7812	1.7741	3.1306	1.7745
H8	2.8959	2.1660	1.0899	3.4796	2.4894	1.7741	3.7812		4.3115	1.7714	3.7720
H9	2.8959	2.1660	3.4796	1.0899	2.4894	3.7812	1.7741	4.3115		3.7720	1.7714
H10	2.9305	2.1561	1.0916	2.7760	3.0609	1.7745	3.1306	1.7714	3.7720		2.5722
H11	2.9305	2.1561	2.7760	1.0916	3.0609	3.1306	1.7745	3.7720	1.7714	2.5722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.062	Cl1	C2	C4	109.062
Cl1	C3	H5	55.905	C2	C3	H6	109.495
C2	C3	H8	111.151	C2	C3	H10	110.251
C2	C4	H7	109.495	C2	C4	H9	111.151
C2	C4	H11	110.251	C3	C2	C4	112.903
C3	C2	H5	110.447	C4	C2	H5	110.447
H6	C3	H8	108.703	H6	C3	H10	108.604
H7	C4	H9	108.703	H7	C4	H11	108.604
H8	C3	H10	108.581	H9	C4	H11	108.581

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

using model chemistry: CCSD(T)/cc-pVTZ

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: CCSD(T)/cc-pVTZ

States and conformations

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