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	hartrees
Energy at 0K	-577.735574
Energy at 298.15K	-577.743464
HF Energy	-577.215558
Nuclear repulsion energy	166.482165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	2989	37.74
2	A'	3212	2972	43.57
3	A'	3193	2954	0.49
4	A'	3134	2900	21.55
5	A'	1579	1461	10.30
6	A'	1567	1450	7.03
7	A'	1502	1390	8.04
8	A'	1383	1280	41.29
9	A'	1251	1158	13.61
10	A'	1145	1059	17.38
11	A'	948	877	10.45
12	A'	675	625	30.64
13	A'	443	410	1.79
14	A'	356	330	1.16
15	A'	291	269	0.08
16	A"	3224	2983	15.34
17	A"	3203	2963	2.10
18	A"	3128	2895	13.99
19	A"	1557	1441	0.38
20	A"	1554	1437	2.73
21	A"	1491	1379	13.20
22	A"	1425	1319	0.58
23	A"	1207	1117	1.65
24	A"	1003	929	0.02
25	A"	985	912	1.52
26	A"	340	315	1.31
27	A"	258	238	0.05

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.882	1.015	0.000
C2	0.565	-0.065	0.000
C3	0.565	-0.899	1.266
C4	0.565	-0.899	-1.266
H5	1.414	0.613	0.000
H6	1.456	-1.526	1.292
H7	1.456	-1.526	-1.292
H8	0.561	-0.270	2.152
H9	0.561	-0.270	-2.152
H10	-0.311	-1.545	1.302
H11	-0.311	-1.545	-1.302

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8051	2.7129	2.7129	2.3306	3.6868	3.6868	2.8924	2.8924	2.9277	2.9277
C2	1.8051		1.5165	1.5165	1.0863	2.1445	2.1445	2.1621	2.1621	2.1565	2.1565
C3	2.7129	1.5165		2.5327	2.1472	1.0902	2.7809	1.0870	3.4763	1.0883	2.7887
C4	2.7129	1.5165	2.5327		2.1472	2.7809	1.0902	3.4763	1.0870	2.7887	1.0883
H5	2.3306	1.0863	2.1472	2.1472		2.4988	2.4988	2.4775	2.4775	3.0533	3.0533
H6	3.6868	2.1445	1.0902	2.7809	2.4988		2.5843	1.7660	3.7741	1.7675	3.1386
H7	3.6868	2.1445	2.7809	1.0902	2.4988	2.5843		3.7741	1.7660	3.1386	1.7675
H8	2.8924	2.1621	1.0870	3.4763	2.4775	1.7660	3.7741		4.3048	1.7638	3.7837
H9	2.8924	2.1621	3.4763	1.0870	2.4775	3.7741	1.7660	4.3048		3.7837	1.7638
H10	2.9277	2.1565	1.0883	2.7887	3.0533	1.7675	3.1386	1.7638	3.7837		2.6030
H11	2.9277	2.1565	2.7887	1.0883	3.0533	3.1386	1.7675	3.7837	1.7638	2.6030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.215	Cl1	C2	C4	109.215
Cl1	C3	H5	55.858	C2	C3	H6	109.628
C2	C3	H8	111.226	C2	C3	H10	110.690
C2	C4	H7	109.628	C2	C4	H9	111.226
C2	C4	H11	110.690	C3	C2	C4	113.241
C3	C2	H5	110.069	C4	C2	H5	110.069
H6	C3	H8	108.417	H6	C3	H10	108.451
H7	C4	H9	108.417	H7	C4	H11	108.451
H8	C3	H10	108.353	H9	C4	H11	108.353

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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