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	hartrees
Energy at 0K	-577.800174
Energy at 298.15K	-577.808011
HF Energy	-577.180095
Nuclear repulsion energy	166.265880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3026	26.83
2	A'	3210	3010	40.97
3	A'	3172	2974	6.09
4	A'	3123	2929	17.63
5	A'	1568	1470	5.69
6	A'	1555	1458	5.13
7	A'	1484	1392	3.94
8	A'	1364	1279	37.38
9	A'	1236	1159	10.72
10	A'	1130	1059	10.58
11	A'	940	881	8.11
12	A'	677	634	21.80
13	A'	435	408	1.37
14	A'	350	328	0.85
15	A'	285	267	0.09
16	A"	3224	3023	13.63
17	A"	3204	3004	1.71
18	A"	3120	2925	13.18
19	A"	1549	1452	0.63
20	A"	1544	1448	1.33
21	A"	1471	1379	6.90
22	A"	1412	1324	1.21
23	A"	1193	1119	1.76
24	A"	991	930	0.00
25	A"	970	910	0.90
26	A"	334	313	1.59
27	A"	255	239	0.03

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.878	1.022	0.000
C2	0.561	-0.066	0.000
C3	0.561	-0.906	1.267
C4	0.561	-0.906	-1.267
H5	1.421	0.603	0.000
H6	1.453	-1.535	1.286
H7	1.453	-1.535	-1.286
H8	0.562	-0.276	2.155
H9	0.562	-0.276	-2.155
H10	-0.318	-1.549	1.298
H11	-0.318	-1.549	-1.298

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8041	2.7192	2.7192	2.3361	3.6909	3.6909	2.8986	2.8986	2.9338	2.9338
C2	1.8041		1.5203	1.5203	1.0890	2.1461	2.1461	2.1650	2.1650	2.1577	2.1577
C3	2.7192	1.5203		2.5342	2.1496	1.0911	2.7760	1.0881	3.4792	1.0895	2.7865
C4	2.7192	1.5203	2.5342		2.1496	2.7760	1.0911	3.4792	1.0881	2.7865	1.0895
H5	2.3361	1.0890	2.1496	2.1496		2.4952	2.4952	2.4807	2.4807	3.0556	3.0556
H6	3.6909	2.1461	1.0911	2.7760	2.4952		2.5711	1.7700	3.7700	1.7704	3.1317
H7	3.6909	2.1461	2.7760	1.0911	2.4952	2.5711		3.7700	1.7700	3.1317	1.7704
H8	2.8986	2.1650	1.0881	3.4792	2.4807	1.7700	3.7700		4.3095	1.7683	3.7831
H9	2.8986	2.1650	3.4792	1.0881	2.4807	3.7700	1.7700	4.3095		3.7831	1.7683
H10	2.9338	2.1577	1.0895	2.7865	3.0556	1.7704	3.1317	1.7683	3.7831		2.5954
H11	2.9338	2.1577	2.7865	1.0895	3.0556	3.1317	1.7704	3.7831	1.7683	2.5954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.468	Cl1	C2	C4	109.468
Cl1	C3	H5	55.880	C2	C3	H6	109.439
C2	C3	H8	111.119	C2	C3	H10	110.450
C2	C4	H7	109.439	C2	C4	H9	111.119
C2	C4	H11	110.450	C3	C2	C4	112.915
C3	C2	H5	109.843	C4	C2	H5	109.843
H6	C3	H8	108.625	H6	C3	H10	108.561
H7	C4	H9	108.625	H7	C4	H11	108.561
H8	C3	H10	108.588	H9	C4	H11	108.588

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

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

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