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	hartrees
Energy at 0K	-574.661209
Energy at 298.15K	-574.668973
HF Energy	-574.337837
Nuclear repulsion energy	162.254910

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'	3195	3050	22.84	24.69	0.09	0.17
2	A'	3174	3030	6.62	80.14	0.67	0.80
3	A'	3160	3016	8.06	134.66	0.66	0.80
4	A'	3089	2948	13.27	183.90	0.03	0.06
5	A'	1604	1531	10.84	2.95	0.66	0.80
6	A'	1594	1521	7.17	32.49	0.75	0.86
7	A'	1506	1438	6.54	3.73	0.47	0.64
8	A'	1330	1269	40.48	8.62	0.57	0.73
9	A'	1248	1191	25.25	3.12	0.69	0.82
10	A'	1120	1069	9.17	8.97	0.63	0.77
11	A'	892	851	10.01	10.44	0.71	0.83
12	A'	596	569	25.45	24.78	0.30	0.46
13	A'	424	404	1.84	2.19	0.22	0.36
14	A'	338	323	2.65	2.63	0.49	0.65
15	A'	280	268	0.18	0.07	0.55	0.71
16	A"	3183	3038	8.10	29.95	0.75	0.86
17	A"	3160	3016	3.18	14.68	0.75	0.86
18	A"	3085	2945	6.08	2.77	0.75	0.86
19	A"	1587	1515	1.30	27.85	0.75	0.86
20	A"	1582	1510	2.74	10.88	0.75	0.86
21	A"	1491	1423	12.01	6.98	0.75	0.86
22	A"	1424	1359	2.40	4.91	0.75	0.86
23	A"	1167	1114	4.96	5.60	0.75	0.86
24	A"	1014	968	2.55	0.21	0.75	0.86
25	A"	990	945	0.09	1.97	0.75	0.86
26	A"	318	303	1.79	2.41	0.75	0.86
27	A"	260	249	0.07	0.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.969	1.011	0.000
C2	0.626	-0.064	0.000
C3	0.626	-0.901	1.282
C4	0.626	-0.901	-1.282
H5	1.426	0.676	0.000
H6	1.547	-1.496	1.320
H7	1.547	-1.496	-1.320
H8	0.580	-0.261	2.166
H9	0.580	-0.261	-2.166
H10	-0.235	-1.576	1.287
H11	-0.235	-1.576	-1.287

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.9240	2.8009	2.8009	2.4192	3.7895	3.7895	2.9515	2.9515	2.9816	2.9816
C2	1.9240		1.5309	1.5309	1.0898	2.1544	2.1544	2.1757	2.1757	2.1642	2.1642
C3	2.8009	1.5309		2.5634	2.1840	1.0969	2.8232	1.0931	3.5073	1.0939	2.7919
C4	2.8009	1.5309	2.5634		2.1840	2.8232	1.0969	3.5073	1.0931	2.7919	1.0939
H5	2.4192	1.0898	2.1840	2.1840		2.5445	2.5445	2.5072	2.5072	3.0800	3.0800
H6	3.7895	2.1544	1.0969	2.8232	2.5445		2.6400	1.7825	3.8230	1.7834	3.1585
H7	3.7895	2.1544	2.8232	1.0969	2.5445	2.6400		3.8230	1.7825	3.1585	1.7834
H8	2.9515	2.1757	1.0931	3.5073	2.5072	1.7825	3.8230		4.3326	1.7798	3.7841
H9	2.9515	2.1757	3.5073	1.0931	2.5072	3.8230	1.7825	4.3326		3.7841	1.7798
H10	2.9816	2.1642	1.0939	2.7919	3.0800	1.7834	3.1585	1.7798	3.7841		2.5739
H11	2.9816	2.1642	2.7919	1.0939	3.0800	3.1585	1.7834	3.7841	1.7798	2.5739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	107.793	Cl1	C2	C4	107.793
Cl1	C3	H5	56.445	C2	C3	H6	109.022
C2	C3	H8	110.923	C2	C3	H10	109.967
C2	C4	H7	109.022	C2	C4	H9	110.923
C2	C4	H11	109.967	C3	C2	C4	113.697
C3	C2	H5	111.789	C4	C2	H5	111.789
H6	C3	H8	108.963	H6	C3	H10	108.994
H7	C4	H9	108.963	H7	C4	H11	108.994
H8	C3	H10	108.939	H9	C4	H11	108.939

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-)