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	hartrees
Energy at 0K	-578.007101
Energy at 298.15K	-578.014891
HF Energy	-577.225128
Nuclear repulsion energy	165.904327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3152	3030
2	A'	3135	3014
3	A'	3101	2982
4	A'	3051	2934
5	A'	1512	1454
6	A'	1505	1447
7	A'	1436	1381
8	A'	1332	1280
9	A'	1203	1157
10	A'	1101	1059
11	A'	921	886
12	A'	659	634
13	A'	426	409
14	A'	343	330
15	A'	288	277
16	A"	3148	3026
17	A"	3128	3007
18	A"	3047	2930
19	A"	1493	1436
20	A"	1491	1434
21	A"	1423	1368
22	A"	1364	1312
23	A"	1168	1123
24	A"	966	929
25	A"	945	909
26	A"	328	316
27	A"	250	240

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.887	1.014	0.000
C2	0.568	-0.060	0.000
C3	0.568	-0.901	1.270
C4	0.568	-0.901	-1.270
H5	1.426	0.620	0.000
H6	1.466	-1.532	1.292
H7	1.466	-1.532	-1.292
H8	0.563	-0.266	2.162
H9	0.563	-0.266	-2.162
H10	-0.317	-1.546	1.297
H11	-0.317	-1.546	-1.297

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8085	2.7195	2.7195	2.3461	3.6994	3.6994	2.9009	2.9009	2.9257	2.9257
C2	1.8085		1.5231	1.5231	1.0949	2.1541	2.1541	2.1721	2.1721	2.1618	2.1618
C3	2.7195	1.5231		2.5409	2.1590	1.0979	2.7873	1.0947	3.4910	1.0961	2.7916
C4	2.7195	1.5231	2.5409		2.1590	2.7873	1.0979	3.4910	1.0947	2.7916	1.0961
H5	2.3461	1.0949	2.1590	2.1590		2.5101	2.5101	2.4911	2.4911	3.0680	3.0680
H6	3.6994	2.1541	1.0979	2.7873	2.5101		2.5831	1.7825	3.7880	1.7834	3.1435
H7	3.6994	2.1541	2.7873	1.0979	2.5101	2.5831		3.7880	1.7825	3.1435	1.7834
H8	2.9009	2.1721	1.0947	3.4910	2.4911	1.7825	3.7880		4.3248	1.7783	3.7923
H9	2.9009	2.1721	3.4910	1.0947	2.4911	3.7880	1.7825	4.3248		3.7923	1.7783
H10	2.9257	2.1618	1.0961	2.7916	3.0680	1.7834	3.1435	1.7783	3.7923		2.5942
H11	2.9257	2.1618	2.7916	1.0961	3.0680	3.1435	1.7834	3.7923	1.7783	2.5942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.128	Cl1	C2	C4	109.128
Cl1	C3	H5	56.080	C2	C3	H6	109.476
C2	C3	H8	111.093	C2	C3	H10	110.188
C2	C4	H7	109.476	C2	C4	H9	111.093
C2	C4	H11	110.188	C3	C2	C4	113.048
C3	C2	H5	110.039	C4	C2	H5	110.039
H6	C3	H8	108.768	H6	C3	H10	108.743
H7	C4	H9	108.768	H7	C4	H11	108.743
H8	C3	H10	108.524	H9	C4	H11	108.524

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

using model chemistry: MP4=FULL/6-311G**

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=FULL/6-311G**

States and conformations

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