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	hartrees
Energy at 0K	-577.784219
Energy at 298.15K	-577.792052
HF Energy	-577.181538
Nuclear repulsion energy	166.659306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3237	3041	19.95	59.28	0.63	0.77
2	A'	3220	3024	34.21	103.59	0.73	0.84
3	A'	3172	2979	5.99	107.22	0.37	0.54
4	A'	3123	2933	18.00	260.51	0.01	0.02
5	A'	1550	1456	10.01	0.78	0.74	0.85
6	A'	1539	1445	7.32	13.46	0.75	0.86
7	A'	1468	1379	7.65	0.97	0.66	0.80
8	A'	1348	1266	37.65	6.08	0.70	0.82
9	A'	1226	1151	12.01	0.76	0.72	0.84
10	A'	1121	1053	11.83	4.86	0.27	0.42
11	A'	938	881	9.10	8.87	0.63	0.77
12	A'	673	632	23.06	14.86	0.24	0.38
13	A'	436	409	1.51	1.75	0.09	0.16
14	A'	349	328	0.75	1.15	0.54	0.70
15	A'	287	269	0.08	0.08	0.68	0.81
16	A"	3235	3038	11.11	38.46	0.75	0.86
17	A"	3215	3020	1.12	11.92	0.75	0.86
18	A"	3120	2930	14.87	1.54	0.75	0.86
19	A"	1531	1438	0.22	14.06	0.75	0.86
20	A"	1526	1434	2.93	2.82	0.75	0.86
21	A"	1452	1364	12.03	0.87	0.75	0.86
22	A"	1391	1306	1.03	2.73	0.75	0.86
23	A"	1189	1117	1.83	3.76	0.75	0.86
24	A"	985	925	0.02	1.97	0.75	0.86
25	A"	964	905	0.98	0.06	0.75	0.86
26	A"	335	314	1.44	1.34	0.75	0.86
27	A"	254	239	0.02	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.877	1.019	0.000
C2	0.561	-0.065	0.000
C3	0.561	-0.902	1.263
C4	0.561	-0.902	-1.263
H5	1.419	0.604	0.000
H6	1.454	-1.527	1.282
H7	1.454	-1.527	-1.282
H8	0.557	-0.275	2.151
H9	0.557	-0.275	-2.151
H10	-0.315	-1.548	1.292
H11	-0.315	-1.548	-1.292

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8002	2.7115	2.7115	2.3329	3.6818	3.6818	2.8912	2.8912	2.9277	2.9277
C2	1.8002		1.5155	1.5155	1.0887	2.1398	2.1398	2.1616	2.1616	2.1529	2.1529
C3	2.7115	1.5155		2.5264	2.1455	1.0901	2.7687	1.0872	3.4717	1.0887	2.7770
C4	2.7115	1.5155	2.5264		2.1455	2.7687	1.0901	3.4717	1.0872	2.7770	1.0887
H5	2.3329	1.0887	2.1455	2.1455		2.4877	2.4877	2.4790	2.4790	3.0513	3.0513
H6	3.6818	2.1398	1.0901	2.7687	2.4877		2.5638	1.7683	3.7627	1.7693	3.1230
H7	3.6818	2.1398	2.7687	1.0901	2.4877	2.5638		3.7627	1.7683	3.1230	1.7693
H8	2.8912	2.1616	1.0872	3.4717	2.4790	1.7683	3.7627		4.3027	1.7665	3.7730
H9	2.8912	2.1616	3.4717	1.0872	2.4790	3.7627	1.7683	4.3027		3.7730	1.7665
H10	2.9277	2.1529	1.0887	2.7770	3.0513	1.7693	3.1230	1.7665	3.7730		2.5832
H11	2.9277	2.1529	2.7770	1.0887	3.0513	3.1230	1.7693	3.7730	1.7665	2.5832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.426	Cl1	C2	C4	109.426
Cl1	C3	H5	55.961	C2	C3	H6	109.326
C2	C3	H8	111.242	C2	C3	H10	110.450
C2	C4	H7	109.326	C2	C4	H9	111.242
C2	C4	H11	110.450	C3	C2	C4	112.928
C3	C2	H5	109.864	C4	C2	H5	109.864
H6	C3	H8	108.616	H6	C3	H10	108.591
H7	C4	H9	108.616	H7	C4	H11	108.591
H8	C3	H10	108.555	H9	C4	H11	108.555

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

using model chemistry: MP2=FULL/6-31+G**

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: MP2=FULL/6-31+G**

States and conformations

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