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	hartrees
Energy at 0K	-577.886372
Energy at 298.15K	-577.894040
HF Energy	-577.206169
Nuclear repulsion energy	164.417976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3125	3008
2	A'	3103	2986
3	A'	3078	2963
4	A'	3020	2907
5	A'	1486	1430
6	A'	1472	1417
7	A'	1400	1347
8	A'	1273	1225
9	A'	1176	1132
10	A'	1066	1026
11	A'	902	868
12	A'	622	599
13	A'	418	402
14	A'	334	322
15	A'	266	256
16	A"	3121	3004
17	A"	3095	2979
18	A"	3016	2903
19	A"	1466	1411
20	A"	1460	1406
21	A"	1391	1338
22	A"	1342	1292
23	A"	1152	1109
24	A"	944	908
25	A"	923	889
26	A"	321	309
27	A"	233	225

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.907	1.016	0.000
C2	0.582	-0.062	0.000
C3	0.582	-0.903	1.278
C4	0.582	-0.903	-1.278
H5	1.428	0.645	0.000
H6	1.495	-1.528	1.306
H7	1.495	-1.528	-1.306
H8	0.565	-0.262	2.175
H9	0.565	-0.262	-2.175
H10	-0.302	-1.567	1.301
H11	-0.302	-1.567	-1.301

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8380	2.7447	2.7447	2.3635	3.7346	3.7346	2.9211	2.9211	2.9545	2.9545
C2	1.8380		1.5298	1.5298	1.1030	2.1651	2.1651	2.1846	2.1846	2.1759	2.1759
C3	2.7447	1.5298		2.5558	2.1788	1.1070	2.8106	1.1031	3.5124	1.1049	2.8051
C4	2.7447	1.5298	2.5558		2.1788	2.8106	1.1070	3.5124	1.1031	2.8051	1.1049
H5	2.3635	1.1030	2.1788	2.1788		2.5365	2.5365	2.5100	2.5100	3.0943	3.0943
H6	3.7346	2.1651	1.1070	2.8106	2.5365		2.6112	1.7956	3.8190	1.7970	3.1656
H7	3.7346	2.1651	2.8106	1.1070	2.5365	2.6112		3.8190	1.7956	3.1656	1.7970
H8	2.9211	2.1846	1.1031	3.5124	2.5100	1.7956	3.8190		4.3507	1.7939	3.8125
H9	2.9211	2.1846	3.5124	1.1031	2.5100	3.8190	1.7956	4.3507		3.8125	1.7939
H10	2.9545	2.1759	1.1049	2.8051	3.0943	1.7970	3.1656	1.7939	3.8125		2.6011
H11	2.9545	2.1759	2.8051	1.1049	3.0943	3.1656	1.7970	3.8125	1.7939	2.6011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	108.823	Cl1	C2	C4	108.823
Cl1	C3	H5	55.964	C2	C3	H6	109.344
C2	C3	H8	111.104	C2	C3	H10	110.312
C2	C4	H7	109.344	C2	C4	H9	111.104
C2	C4	H11	110.312	C3	C2	C4	113.300
C3	C2	H5	110.655	C4	C2	H5	110.655
H6	C3	H8	108.675	H6	C3	H10	108.673
H7	C4	H9	108.675	H7	C4	H11	108.673
H8	C3	H10	108.681	H9	C4	H11	108.681

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

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