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	hartrees
Energy at 0K	-577.905849
Energy at 298.15K	-577.913623
HF Energy	-577.233471
Nuclear repulsion energy	165.668666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3154	3037
2	A'	3135	3019
3	A'	3107	2992
4	A'	3053	2939
5	A'	1515	1459
6	A'	1509	1453
7	A'	1447	1394
8	A'	1322	1273
9	A'	1210	1165
10	A'	1098	1057
11	A'	914	880
12	A'	648	624
13	A'	425	409
14	A'	342	329
15	A'	288	278
16	A"	3150	3033
17	A"	3128	3012
18	A"	3049	2935
19	A"	1495	1440
20	A"	1494	1438
21	A"	1429	1376
22	A"	1370	1319
23	A"	1164	1121
24	A"	967	931
25	A"	953	917
26	A"	326	314
27	A"	245	236

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.894	1.018	0.000
C2	0.573	-0.064	0.000
C3	0.573	-0.903	1.267
C4	0.573	-0.903	-1.267
H5	1.426	0.616	0.000
H6	1.467	-1.534	1.284
H7	1.467	-1.534	-1.284
H8	0.572	-0.273	2.159
H9	0.572	-0.273	-2.159
H10	-0.310	-1.546	1.298
H11	-0.310	-1.546	-1.298

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8225	2.7289	2.7289	2.3543	3.7060	3.7060	2.9114	2.9114	2.9329	2.9329
C2	1.8225		1.5197	1.5197	1.0913	2.1467	2.1467	2.1687	2.1687	2.1589	2.1589
C3	2.7289	1.5197		2.5344	2.1544	1.0948	2.7759	1.0914	3.4832	1.0930	2.7878
C4	2.7289	1.5197	2.5344		2.1544	2.7759	1.0948	3.4832	1.0914	2.7878	1.0930
H5	2.3543	1.0913	2.1544	2.1544		2.5043	2.5043	2.4858	2.4858	3.0619	3.0619
H6	3.7060	2.1467	1.0948	2.7759	2.5043		2.5675	1.7763	3.7735	1.7778	3.1343
H7	3.7060	2.1467	2.7759	1.0948	2.5043	2.5675		3.7735	1.7763	3.1343	1.7778
H8	2.9114	2.1687	1.0914	3.4832	2.4858	1.7763	3.7735		4.3172	1.7724	3.7876
H9	2.9114	2.1687	3.4832	1.0914	2.4858	3.7735	1.7763	4.3172		3.7876	1.7724
H10	2.9329	2.1589	1.0930	2.7878	3.0619	1.7778	3.1343	1.7724	3.7876		2.5953
H11	2.9329	2.1589	2.7878	1.0930	3.0619	3.1343	1.7778	3.7876	1.7724	2.5953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.137	Cl1	C2	C4	109.137
Cl1	C3	H5	56.173	C2	C3	H6	109.306
C2	C3	H8	111.257	C2	C3	H10	110.378
C2	C4	H7	109.306	C2	C4	H9	111.257
C2	C4	H11	110.378	C3	C2	C4	112.992
C3	C2	H5	110.123	C4	C2	H5	110.123
H6	C3	H8	108.683	H6	C3	H10	108.697
H7	C4	H9	108.683	H7	C4	H11	108.697
H8	C3	H10	108.464	H9	C4	H11	108.464

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

using model chemistry: MP4/TZVP

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/TZVP

States and conformations

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