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	hartrees
Energy at 0K	-577.885538
Energy at 298.15K	-577.893209
HF Energy	-577.206213
Nuclear repulsion energy	164.470425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3164	3091
2	A'	3146	3073
3	A'	3106	3035
4	A'	3064	2993
5	A'	1551	1515
6	A'	1537	1501
7	A'	1464	1431
8	A'	1342	1311
9	A'	1221	1193
10	A'	1114	1089
11	A'	924	903
12	A'	654	639
13	A'	432	422
14	A'	347	339
15	A'	282	275
16	A"	3161	3088
17	A"	3141	3068
18	A"	3060	2989
19	A"	1531	1496
20	A"	1525	1490
21	A"	1451	1417
22	A"	1394	1362
23	A"	1180	1153
24	A"	979	957
25	A"	960	938
26	A"	328	321
27	A"	255	249

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.906	1.016	0.000
C2	0.581	-0.062	0.000
C3	0.581	-0.903	1.277
C4	0.581	-0.903	-1.277
H5	1.428	0.645	0.000
H6	1.494	-1.528	1.305
H7	1.494	-1.528	-1.305
H8	0.565	-0.263	2.175
H9	0.565	-0.263	-2.175
H10	-0.302	-1.566	1.300
H11	-0.302	-1.566	-1.300

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8372	2.7438	2.7438	2.3633	3.7334	3.7334	2.9204	2.9204	2.9535	2.9535
C2	1.8372		1.5294	1.5294	1.1033	2.1646	2.1646	2.1842	2.1842	2.1751	2.1751
C3	2.7438	1.5294		2.5548	2.1786	1.1067	2.8095	1.1028	3.5113	1.1046	2.8037
C4	2.7438	1.5294	2.5548		2.1786	2.8095	1.1067	3.5113	1.1028	2.8037	1.1046
H5	2.3633	1.1033	2.1786	2.1786		2.5360	2.5360	2.5099	2.5099	3.0938	3.0938
H6	3.7334	2.1646	1.1067	2.8095	2.5360		2.6102	1.7951	3.8179	1.7966	3.1642
H7	3.7334	2.1646	2.8095	1.1067	2.5360	2.6102		3.8179	1.7951	3.1642	1.7966
H8	2.9204	2.1842	1.1028	3.5113	2.5099	1.7951	3.8179		4.3498	1.7934	3.8109
H9	2.9204	2.1842	3.5113	1.1028	2.5099	3.8179	1.7951	4.3498		3.8109	1.7934
H10	2.9535	2.1751	1.1046	2.8037	3.0938	1.7966	3.1642	1.7934	3.8109		2.5993
H11	2.9535	2.1751	2.8037	1.1046	3.0938	3.1642	1.7966	3.8109	1.7934	2.5993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	108.834	Cl1	C2	C4	108.834
Cl1	C3	H5	55.975	C2	C3	H6	109.356
C2	C3	H8	111.119	C2	C3	H10	110.293
C2	C4	H7	109.356	C2	C4	H9	111.119
C2	C4	H11	110.293	C3	C2	C4	113.280
C3	C2	H5	110.646	C4	C2	H5	110.646
H6	C3	H8	108.670	H6	C3	H10	108.677
H7	C4	H9	108.670	H7	C4	H11	108.677
H8	C3	H10	108.673	H9	C4	H11	108.673

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

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

States and conformations

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