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	hartrees
Energy at 0K	-577.785425
Energy at 298.15K	-577.793192
HF Energy	-577.168487
Nuclear repulsion energy	165.675888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3064
2	A'	3138	3046
3	A'	3104	3013
4	A'	3059	2969
5	A'	1549	1503
6	A'	1536	1491
7	A'	1465	1422
8	A'	1340	1300
9	A'	1221	1186
10	A'	1114	1081
11	A'	924	897
12	A'	652	633
13	A'	432	419
14	A'	347	336
15	A'	280	271
16	A"	3153	3060
17	A"	3131	3040
18	A"	3055	2965
19	A"	1529	1485
20	A"	1524	1479
21	A"	1452	1410
22	A"	1394	1353
23	A"	1180	1146
24	A"	980	951
25	A"	961	933
26	A"	329	319
27	A"	251	244

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.887	1.020	0.000
C2	0.568	-0.064	0.000
C3	0.568	-0.904	1.269
C4	0.568	-0.904	-1.269
H5	1.426	0.617	0.000
H6	1.469	-1.532	1.292
H7	1.469	-1.532	-1.292
H8	0.561	-0.270	2.163
H9	0.561	-0.270	-2.163
H10	-0.314	-1.557	1.297
H11	-0.314	-1.557	-1.297

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8141	2.7254	2.7254	2.3477	3.7057	3.7057	2.9052	2.9052	2.9410	2.9410
C2	1.8141		1.5219	1.5219	1.0960	2.1533	2.1533	2.1731	2.1731	2.1650	2.1650
C3	2.7254	1.5219		2.5386	2.1592	1.0989	2.7871	1.0958	3.4906	1.0971	2.7912
C4	2.7254	1.5219	2.5386		2.1592	2.7871	1.0989	3.4906	1.0958	2.7912	1.0971
H5	2.3477	1.0960	2.1592	2.1592		2.5083	2.5083	2.4931	2.4931	3.0717	3.0717
H6	3.7057	2.1533	1.0989	2.7871	2.5083		2.5841	1.7821	3.7890	1.7828	3.1438
H7	3.7057	2.1533	2.7871	1.0989	2.5083	2.5841		3.7890	1.7821	3.1438	1.7828
H8	2.9052	2.1731	1.0958	3.4906	2.4931	1.7821	3.7890		4.3266	1.7804	3.7942
H9	2.9052	2.1731	3.4906	1.0958	2.4931	3.7890	1.7821	4.3266		3.7942	1.7804
H10	2.9410	2.1650	1.0971	2.7912	3.0717	1.7828	3.1438	1.7804	3.7942		2.5948
H11	2.9410	2.1650	2.7912	1.0971	3.0717	3.1438	1.7828	3.7942	1.7804	2.5948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.249	Cl1	C2	C4	109.249
Cl1	C3	H5	56.020	C2	C3	H6	109.432
C2	C3	H8	111.183	C2	C3	H10	110.463
C2	C4	H7	109.432	C2	C4	H9	111.183
C2	C4	H11	110.463	C3	C2	C4	113.031
C3	C2	H5	110.065	C4	C2	H5	110.065
H6	C3	H8	108.586	H6	C3	H10	108.554
H7	C4	H9	108.586	H7	C4	H11	108.554
H8	C3	H10	108.561	H9	C4	H11	108.561

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

using model chemistry: CCSD(T)=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 CH3CHClCH3 (Propane, 2-chloro-)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

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