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	hartrees
Energy at 0K	-577.844284
Energy at 298.15K	-577.852011
HF Energy	-577.198656
Nuclear repulsion energy	164.838780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3162	3057
2	A'	3144	3040
3	A'	3095	2993
4	A'	3053	2952
5	A'	1496	1446
6	A'	1483	1434
7	A'	1411	1364
8	A'	1289	1246
9	A'	1186	1147
10	A'	1078	1042
11	A'	915	884
12	A'	645	623
13	A'	420	406
14	A'	337	326
15	A'	279	270
16	A"	3159	3055
17	A"	3138	3034
18	A"	3050	2949
19	A"	1476	1428
20	A"	1472	1423
21	A"	1402	1356
22	A"	1354	1309
23	A"	1161	1122
24	A"	953	922
25	A"	931	900
26	A"	323	313
27	A"	247	239

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.893	1.022	0.000
C2	0.572	-0.064	0.000
C3	0.572	-0.906	1.275
C4	0.572	-0.906	-1.275
H5	1.436	0.626	0.000
H6	1.479	-1.541	1.299
H7	1.479	-1.541	-1.299
H8	0.564	-0.267	2.175
H9	0.564	-0.267	-2.175
H10	-0.318	-1.562	1.302
H11	-0.318	-1.562	-1.302

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8232	2.7369	2.7369	2.3620	3.7258	3.7258	2.9176	2.9176	2.9506	2.9506
C2	1.8232		1.5285	1.5285	1.1055	2.1662	2.1662	2.1842	2.1842	2.1757	2.1757
C3	2.7369	1.5285		2.5505	2.1728	1.1072	2.8022	1.1039	3.5088	1.1056	2.8046
C4	2.7369	1.5285	2.5505		2.1728	2.8022	1.1072	3.5088	1.1039	2.8046	1.1056
H5	2.3620	1.1055	2.1728	2.1728		2.5268	2.5268	2.5071	2.5071	3.0920	3.0920
H6	3.7258	2.1662	1.1072	2.8022	2.5268		2.5982	1.7965	3.8116	1.7969	3.1617
H7	3.7258	2.1662	2.8022	1.1072	2.5268	2.5982		3.8116	1.7965	3.1617	1.7969
H8	2.9176	2.1842	1.1039	3.5088	2.5071	1.7965	3.8116		4.3494	1.7939	3.8141
H9	2.9176	2.1842	3.5088	1.1039	2.5071	3.8116	1.7965	4.3494		3.8141	1.7939
H10	2.9506	2.1757	1.1056	2.8046	3.0920	1.7969	3.1617	1.7939	3.8141		2.6048
H11	2.9506	2.1757	2.8046	1.1056	3.0920	3.1617	1.7969	3.8141	1.7939	2.6048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.167	Cl1	C2	C4	109.167
Cl1	C3	H5	56.105	C2	C3	H6	109.503
C2	C3	H8	111.112	C2	C3	H10	110.339
C2	C4	H7	109.503	C2	C4	H9	111.112
C2	C4	H11	110.339	C3	C2	C4	113.084
C3	C2	H5	110.121	C4	C2	H5	110.121
H6	C3	H8	108.682	H6	C3	H10	108.587
H7	C4	H9	108.682	H7	C4	H11	108.587
H8	C3	H10	108.562	H9	C4	H11	108.562

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

using model chemistry: MP4/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: MP4/cc-pVDZ

States and conformations

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