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	hartrees
Energy at 0K	-577.757799
Energy at 298.15K	-577.765624
HF Energy	-577.181522
Nuclear repulsion energy	166.489730

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'	3233	3041	20.37	59.41	0.62	0.77
2	A'	3216	3025	34.74	103.57	0.73	0.84
3	A'	3169	2981	5.87	108.17	0.37	0.54
4	A'	3120	2935	18.26	261.52	0.01	0.02
5	A'	1548	1456	9.77	0.82	0.74	0.85
6	A'	1536	1445	7.25	13.49	0.75	0.86
7	A'	1466	1379	7.38	0.96	0.66	0.80
8	A'	1348	1268	37.92	6.09	0.70	0.82
9	A'	1224	1152	11.81	0.76	0.71	0.83
10	A'	1120	1053	11.86	4.89	0.27	0.42
11	A'	936	881	9.21	8.98	0.63	0.77
12	A'	673	633	23.36	14.95	0.24	0.38
13	A'	435	409	1.53	1.77	0.09	0.16
14	A'	348	327	0.75	1.16	0.54	0.70
15	A'	286	269	0.08	0.08	0.68	0.81
16	A"	3231	3039	11.29	38.71	0.75	0.86
17	A"	3211	3020	1.18	11.95	0.75	0.86
18	A"	3117	2932	14.95	1.56	0.75	0.86
19	A"	1528	1438	0.26	13.74	0.75	0.86
20	A"	1524	1434	2.81	3.19	0.75	0.86
21	A"	1450	1364	11.68	0.86	0.75	0.86
22	A"	1389	1306	1.07	2.76	0.75	0.86
23	A"	1188	1117	1.83	3.81	0.75	0.86
24	A"	983	925	0.02	1.99	0.75	0.86
25	A"	962	905	0.94	0.06	0.75	0.86
26	A"	334	314	1.46	1.35	0.75	0.86
27	A"	252	237	0.02	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.878	1.019	0.000
C2	0.561	-0.065	0.000
C3	0.561	-0.903	1.265
C4	0.561	-0.903	-1.265
H5	1.420	0.605	0.000
H6	1.455	-1.529	1.283
H7	1.455	-1.529	-1.283
H8	0.558	-0.275	2.154
H9	0.558	-0.275	-2.154
H10	-0.316	-1.549	1.293
H11	-0.316	-1.549	-1.293

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8019	2.7141	2.7141	2.3351	3.6852	3.6852	2.8940	2.8940	2.9301	2.9301
C2	1.8019		1.5172	1.5172	1.0898	2.1417	2.1417	2.1638	2.1638	2.1551	2.1551
C3	2.7141	1.5172		2.5296	2.1478	1.0913	2.7716	1.0883	3.4756	1.0899	2.7805
C4	2.7141	1.5172	2.5296		2.1478	2.7716	1.0913	3.4756	1.0883	2.7805	1.0899
H5	2.3351	1.0898	2.1478	2.1478		2.4902	2.4902	2.4811	2.4811	3.0544	3.0544
H6	3.6852	2.1417	1.0913	2.7716	2.4902		2.5659	1.7703	3.7664	1.7714	3.1265
H7	3.6852	2.1417	2.7716	1.0913	2.4902	2.5659		3.7664	1.7703	3.1265	1.7714
H8	2.8940	2.1638	1.0883	3.4756	2.4811	1.7703	3.7664		4.3072	1.7686	3.7775
H9	2.8940	2.1638	3.4756	1.0883	2.4811	3.7664	1.7703	4.3072		3.7775	1.7686
H10	2.9301	2.1551	1.0899	2.7805	3.0544	1.7714	3.1265	1.7686	3.7775		2.5867
H11	2.9301	2.1551	2.7805	1.0899	3.0544	3.1265	1.7714	3.7775	1.7686	2.5867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.414	Cl1	C2	C4	109.414
Cl1	C3	H5	55.956	C2	C3	H6	109.296
C2	C3	H8	111.227	C2	C3	H10	110.441
C2	C4	H7	109.296	C2	C4	H9	111.227
C2	C4	H11	110.441	C3	C2	C4	112.952
C3	C2	H5	109.866	C4	C2	H5	109.866
H6	C3	H8	108.627	H6	C3	H10	108.611
H7	C4	H9	108.627	H7	C4	H11	108.611
H8	C3	H10	108.580	H9	C4	H11	108.580

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

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

States and conformations

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