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	hartrees
Energy at 0K	-578.037057
Energy at 298.15K	-578.044819
HF Energy	-577.261408
Nuclear repulsion energy	167.131125

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'	3186	3022	13.61	56.55	0.56	0.72
2	A'	3168	3005	26.02	91.14	0.72	0.84
3	A'	3127	2966	2.97	105.38	0.37	0.54
4	A'	3076	2917	15.34	310.48	0.01	0.01
5	A'	1520	1442	7.83	0.64	0.75	0.86
6	A'	1507	1429	8.93	7.85	0.75	0.85
7	A'	1420	1347	6.71	0.32	0.63	0.77
8	A'	1298	1231	28.26	4.99	0.68	0.81
9	A'	1196	1135	14.38	1.82	0.47	0.64
10	A'	1090	1034	12.59	3.76	0.30	0.46
11	A'	923	875	8.70	6.87	0.47	0.64
12	A'	665	631	20.80	13.76	0.19	0.32
13	A'	423	401	1.41	1.23	0.10	0.18
14	A'	339	322	1.03	1.07	0.55	0.71
15	A'	279	265	0.12	0.06	0.67	0.81
16	A"	3184	3020	8.99	34.37	0.75	0.86
17	A"	3163	3000	0.51	11.66	0.75	0.86
18	A"	3074	2915	10.05	2.40	0.75	0.86
19	A"	1499	1421	0.21	7.85	0.75	0.86
20	A"	1494	1417	2.52	2.66	0.75	0.86
21	A"	1407	1335	12.25	0.03	0.75	0.86
22	A"	1364	1294	0.51	1.96	0.75	0.86
23	A"	1169	1109	1.96	2.51	0.75	0.86
24	A"	963	913	0.03	0.93	0.75	0.86
25	A"	943	894	1.06	0.14	0.75	0.86
26	A"	327	310	1.42	1.14	0.75	0.86
27	A"	246	234	0.01	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.884	1.004	0.000
C2	0.567	-0.056	0.000
C3	0.567	-0.893	1.259
C4	0.567	-0.893	-1.259
H5	1.410	0.630	0.000
H6	1.462	-1.513	1.283
H7	1.462	-1.513	-1.283
H8	0.552	-0.267	2.146
H9	0.552	-0.267	-2.146
H10	-0.305	-1.542	1.277
H11	-0.305	-1.542	-1.277

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.7973	2.6998	2.6998	2.3247	3.6724	3.6724	2.8780	2.8780	2.9064	2.9064
C2	1.7973		1.5116	1.5116	1.0871	2.1376	2.1376	2.1567	2.1567	2.1446	2.1446
C3	2.6998	1.5116		2.5183	2.1482	1.0893	2.7658	1.0860	3.4626	1.0877	2.7597
C4	2.6998	1.5116	2.5183		2.1482	2.7658	1.0893	3.4626	1.0860	2.7597	1.0877
H5	2.3247	1.0871	2.1482	2.1482		2.4982	2.4982	2.4794	2.4794	3.0482	3.0482
H6	3.6724	2.1376	1.0893	2.7658	2.4982		2.5665	1.7684	3.7609	1.7680	3.1116
H7	3.6724	2.1376	2.7658	1.0893	2.4982	2.5665		3.7609	1.7684	3.1116	1.7680
H8	2.8780	2.1567	1.0860	3.4626	2.4794	1.7684	3.7609		4.2927	1.7654	3.7526
H9	2.8780	2.1567	3.4626	1.0860	2.4794	3.7609	1.7684	4.2927		3.7526	1.7654
H10	2.9064	2.1446	1.0877	2.7597	3.0482	1.7680	3.1116	1.7654	3.7526		2.5545
H11	2.9064	2.1446	2.7597	1.0877	3.0482	3.1116	1.7680	3.7526	1.7654	2.5545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.049	Cl1	C2	C4	109.049
Cl1	C3	H5	55.921	C2	C3	H6	109.476
C2	C3	H8	111.191	C2	C3	H10	110.127
C2	C4	H7	109.476	C2	C4	H9	111.191
C2	C4	H11	110.127	C3	C2	C4	112.812
C3	C2	H5	110.447	C4	C2	H5	110.447
H6	C3	H8	108.767	H6	C3	H10	108.614
H7	C4	H9	108.767	H7	C4	H11	108.614
H8	C3	H10	108.612	H9	C4	H11	108.612

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

using model chemistry: MP2/cc-pVQZ

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/cc-pVQZ

States and conformations

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