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	hartrees
Energy at 0K	-577.810755
Energy at 298.15K	-577.818498
HF Energy	-577.206792
Nuclear repulsion energy	165.288701

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'	3177	3047	17.66	57.53	0.54	0.70
2	A'	3157	3027	32.85	89.94	0.72	0.84
3	A'	3120	2993	3.14	112.52	0.36	0.52
4	A'	3062	2937	18.94	332.29	0.01	0.02
5	A'	1497	1435	7.54	0.32	0.75	0.86
6	A'	1482	1421	7.65	6.87	0.75	0.85
7	A'	1401	1344	6.20	0.40	0.75	0.86
8	A'	1285	1232	30.20	5.66	0.59	0.74
9	A'	1184	1135	14.23	2.27	0.56	0.71
10	A'	1075	1031	12.73	4.48	0.20	0.34
11	A'	917	879	9.05	7.56	0.46	0.63
12	A'	645	619	23.66	17.42	0.17	0.28
13	A'	424	407	1.64	1.64	0.07	0.14
14	A'	340	326	1.14	1.29	0.49	0.65
15	A'	278	267	0.12	0.06	0.58	0.73
16	A"	3174	3044	11.37	34.08	0.75	0.86
17	A"	3151	3022	0.88	12.15	0.75	0.86
18	A"	3060	2934	11.84	3.24	0.75	0.86
19	A"	1474	1414	0.04	7.72	0.75	0.86
20	A"	1469	1409	2.05	1.63	0.75	0.86
21	A"	1392	1335	11.75	0.02	0.75	0.86
22	A"	1347	1291	0.41	1.94	0.75	0.86
23	A"	1165	1118	1.76	2.84	0.75	0.86
24	A"	951	912	0.02	0.74	0.75	0.86
25	A"	929	891	0.85	0.17	0.75	0.86
26	A"	329	315	1.48	1.12	0.75	0.86
27	A"	243	233	0.02	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.899	1.012	0.000
C2	0.577	-0.060	0.000
C3	0.577	-0.899	1.271
C4	0.577	-0.899	-1.271
H5	1.424	0.642	0.000
H6	1.486	-1.523	1.298
H7	1.486	-1.523	-1.298
H8	0.560	-0.262	2.167
H9	0.560	-0.262	-2.167
H10	-0.304	-1.559	1.292
H11	-0.304	-1.559	-1.292

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8240	2.7288	2.7288	2.3522	3.7146	3.7146	2.9071	2.9071	2.9382	2.9382
C2	1.8240		1.5234	1.5234	1.1002	2.1567	2.1567	2.1768	2.1768	2.1666	2.1666
C3	2.7288	1.5234		2.5426	2.1702	1.1030	2.7958	1.0994	3.4971	1.1010	2.7899
C4	2.7288	1.5234	2.5426		2.1702	2.7958	1.1030	3.4971	1.0994	2.7899	1.1010
H5	2.3522	1.1002	2.1702	2.1702		2.5249	2.5249	2.5021	2.5021	3.0826	3.0826
H6	3.7146	2.1567	1.1030	2.7958	2.5249		2.5958	1.7892	3.8017	1.7910	3.1491
H7	3.7146	2.1567	2.7958	1.1030	2.5249	2.5958		3.8017	1.7892	3.1491	1.7910
H8	2.9071	2.1768	1.0994	3.4971	2.5021	1.7892	3.8017		4.3346	1.7876	3.7945
H9	2.9071	2.1768	3.4971	1.0994	2.5021	3.8017	1.7892	4.3346		3.7945	1.7876
H10	2.9382	2.1666	1.1010	2.7899	3.0826	1.7910	3.1491	1.7876	3.7945		2.5845
H11	2.9382	2.1666	2.7899	1.1010	3.0826	3.1491	1.7910	3.7945	1.7876	2.5845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	108.887	Cl1	C2	C4	108.887
Cl1	C3	H5	56.000	C2	C3	H6	109.360
C2	C3	H8	111.153	C2	C3	H10	110.249
C2	C4	H7	109.360	C2	C4	H9	111.153
C2	C4	H11	110.249	C3	C2	C4	113.131
C3	C2	H5	110.586	C4	C2	H5	110.586
H6	C3	H8	108.659	H6	C3	H10	108.707
H7	C4	H9	108.659	H7	C4	H11	108.707
H8	C3	H10	108.660	H9	C4	H11	108.660

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

using model chemistry: MP2/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: MP2/aug-cc-pVDZ

States and conformations

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