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	hartrees
Energy at 0K	-577.885925
Energy at 298.15K	-577.893736
HF Energy	-577.233626
Nuclear repulsion energy	165.907693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3023	33.37
2	A'	3149	3005	41.92
3	A'	3129	2986	0.70
4	A'	3070	2930	22.11
5	A'	1527	1458	7.54
6	A'	1521	1452	4.82
7	A'	1463	1396	4.57
8	A'	1338	1277	37.49
9	A'	1222	1166	11.30
10	A'	1111	1060	9.63
11	A'	924	882	9.31
12	A'	657	627	24.39
13	A'	430	411	1.76
14	A'	345	329	0.76
15	A'	289	276	0.09
16	A"	3161	3017	15.95
17	A"	3139	2996	1.80
18	A"	3065	2925	13.28
19	A"	1508	1439	0.18
20	A"	1507	1438	1.54
21	A"	1447	1381	7.48
22	A"	1387	1324	1.53
23	A"	1176	1122	1.75
24	A"	978	934	0.11
25	A"	963	919	0.45
26	A"	332	317	1.71
27	A"	246	235	0.01

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.891	1.018	0.000
C2	0.571	-0.065	0.000
C3	0.571	-0.902	1.266
C4	0.571	-0.902	-1.266
H5	1.422	0.614	0.000
H6	1.465	-1.530	1.284
H7	1.465	-1.530	-1.284
H8	0.569	-0.273	2.156
H9	0.569	-0.273	-2.156
H10	-0.309	-1.547	1.297
H11	-0.309	-1.547	-1.297

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8185	2.7248	2.7248	2.3478	3.7004	3.7004	2.9063	2.9063	2.9323	2.9323
C2	1.8185		1.5181	1.5181	1.0889	2.1444	2.1444	2.1664	2.1664	2.1573	2.1573
C3	2.7248	1.5181		2.5324	2.1511	1.0933	2.7750	1.0899	3.4798	1.0914	2.7856
C4	2.7248	1.5181	2.5324		2.1511	2.7750	1.0933	3.4798	1.0899	2.7856	1.0914
H5	2.3478	1.0889	2.1511	2.1511		2.5000	2.5000	2.4830	2.4830	3.0579	3.0579
H6	3.7004	2.1444	1.0933	2.7750	2.5000		2.5689	1.7732	3.7713	1.7747	3.1325
H7	3.7004	2.1444	2.7750	1.0933	2.5000	2.5689		3.7713	1.7732	3.1325	1.7747
H8	2.9063	2.1664	1.0899	3.4798	2.4830	1.7732	3.7713		4.3127	1.7699	3.7840
H9	2.9063	2.1664	3.4798	1.0899	2.4830	3.7713	1.7732	4.3127		3.7840	1.7699
H10	2.9323	2.1573	1.0914	2.7856	3.0579	1.7747	3.1325	1.7699	3.7840		2.5939
H11	2.9323	2.1573	2.7856	1.0914	3.0579	3.1325	1.7747	3.7840	1.7699	2.5939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.171	Cl1	C2	C4	109.171
Cl1	C3	H5	56.091	C2	C3	H6	109.325
C2	C3	H8	111.272	C2	C3	H10	110.457
C2	C4	H7	109.325	C2	C4	H9	111.272
C2	C4	H11	110.457	C3	C2	C4	113.034
C3	C2	H5	110.110	C4	C2	H5	110.110
H6	C3	H8	108.621	H6	C3	H10	108.643
H7	C4	H9	108.621	H7	C4	H11	108.643
H8	C3	H10	108.462	H9	C4	H11	108.462

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

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

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