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	hartrees
Energy at 0K	-574.851696
Energy at 298.15K	-574.859515
HF Energy	-574.440156
Nuclear repulsion energy	164.590882

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'	3187	3031	23.09	34.83	0.46	0.63
2	A'	3168	3014	21.51	78.88	0.74	0.85
3	A'	3149	2996	0.31	118.14	0.53	0.69
4	A'	3089	2939	12.00	170.05	0.02	0.04
5	A'	1605	1527	10.63	2.45	0.68	0.81
6	A'	1594	1516	7.35	32.73	0.75	0.86
7	A'	1504	1431	6.98	3.25	0.51	0.67
8	A'	1358	1292	32.91	7.26	0.72	0.84
9	A'	1247	1186	15.01	1.85	0.73	0.85
10	A'	1144	1089	13.01	6.65	0.58	0.73
11	A'	888	845	9.37	9.15	0.63	0.77
12	A'	627	596	25.24	16.90	0.28	0.43
13	A'	433	412	1.71	1.52	0.17	0.28
14	A'	349	332	1.79	1.27	0.52	0.69
15	A'	284	270	0.12	0.03	0.62	0.77
16	A"	3180	3025	8.60	29.75	0.75	0.86
17	A"	3161	3007	2.67	12.96	0.75	0.86
18	A"	3086	2936	7.65	1.58	0.75	0.86
19	A"	1588	1511	0.97	28.27	0.75	0.86
20	A"	1582	1505	3.18	9.79	0.75	0.86
21	A"	1488	1416	11.03	6.04	0.75	0.86
22	A"	1420	1351	1.71	5.73	0.75	0.86
23	A"	1165	1108	3.52	4.10	0.75	0.86
24	A"	1012	963	2.32	0.38	0.75	0.86
25	A"	985	937	0.21	2.96	0.75	0.86
26	A"	334	318	1.53	1.57	0.75	0.86
27	A"	264	251	0.03	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.910	1.014	0.000
C2	0.584	-0.052	0.000
C3	0.584	-0.905	1.279
C4	0.584	-0.905	-1.279
H5	1.427	0.641	0.000
H6	1.491	-1.521	1.302
H7	1.491	-1.521	-1.302
H8	0.562	-0.269	2.169
H9	0.562	-0.269	-2.169
H10	-0.293	-1.559	1.288
H11	-0.293	-1.559	-1.288

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8351	2.7476	2.7476	2.3664	3.7257	3.7257	2.9184	2.9184	2.9424	2.9424
C2	1.8351		1.5375	1.5375	1.0916	2.1618	2.1618	2.1799	2.1799	2.1676	2.1676
C3	2.7476	1.5375		2.5588	2.1767	1.0964	2.8041	1.0934	3.5064	1.0941	2.7910
C4	2.7476	1.5375	2.5588		2.1767	2.8041	1.0964	3.5064	1.0934	2.7910	1.0941
H5	2.3664	1.0916	2.1767	2.1767		2.5245	2.5245	2.5063	2.5063	3.0755	3.0755
H6	3.7257	2.1618	1.0964	2.8041	2.5245		2.6032	1.7834	3.8043	1.7842	3.1450
H7	3.7257	2.1618	2.8041	1.0964	2.5245	2.6032		3.8043	1.7834	3.1450	1.7842
H8	2.9184	2.1799	1.0934	3.5064	2.5063	1.7834	3.8043		4.3378	1.7804	3.7876
H9	2.9184	2.1799	3.5064	1.0934	2.5063	3.8043	1.7834	4.3378		3.7876	1.7804
H10	2.9424	2.1676	1.0941	2.7910	3.0755	1.7842	3.1450	1.7804	3.7876		2.5765
H11	2.9424	2.1676	2.7910	1.0941	3.0755	3.1450	1.7842	3.7876	1.7804	2.5765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	108.793	Cl1	C2	C4	108.793
Cl1	C3	H5	56.006	C2	C3	H6	109.177
C2	C3	H8	110.767	C2	C3	H10	109.766
C2	C4	H7	109.177	C2	C4	H9	110.767
C2	C4	H11	109.766	C3	C2	C4	112.633
C3	C2	H5	110.626	C4	C2	H5	110.626
H6	C3	H8	109.061	H6	C3	H10	109.088
H7	C4	H9	109.061	H7	C4	H11	109.088
H8	C3	H10	108.954	H9	C4	H11	108.954

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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