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	hartrees
Energy at 0K	-1036.938749
Energy at 298.15K
HF Energy	-1036.143627
Nuclear repulsion energy	295.276560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	3023	11.01
2	A₁	3072	2931	12.91
3	A₁	1512	1443	2.36
4	A₁	1458	1391	3.49
5	A₁	1215	1160	30.67
6	A₁	964	919	6.42
7	A₁	585	558	13.08
8	A₁	374	357	0.44
9	A₁	270	258	0.65
10	A₂	3148	3003	0.00
11	A₂	1494	1426	0.00
12	A₂	1046	998	0.00
13	A₂	297	283	0.00
14	A₂	286	273	0.00
15	B₁	3154	3009	24.78
16	B₁	1514	1445	4.07
17	B₁	1171	1117	78.97
18	B₁	716	683	85.10
19	B₁	373	356	1.55
20	B₁	331	316	0.01
21	B₂	3167	3021	6.21
22	B₂	3068	2927	5.48
23	B₂	1497	1428	2.65
24	B₂	1438	1372	10.16
25	B₂	1248	1191	4.42
26	B₂	977	932	0.05
27	B₂	399	380	2.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.332
Cl2	1.463	0.000	-0.714
Cl3	-1.463	0.000	-0.714
C4	0.000	1.270	1.170
C5	0.000	-1.270	1.170
H6	0.000	2.155	0.528
H7	0.000	-2.155	0.528
H8	-0.893	1.288	1.802
H9	0.893	1.288	1.802
H10	0.893	-1.288	1.802
H11	-0.893	-1.288	1.802

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7987	1.7987	1.5217	1.5217	2.1636	2.1636	2.1494	2.1494	2.1494	2.1494
Cl2	1.7987		2.9265	2.7026	2.7026	2.8859	2.8859	3.6805	2.8840	2.8840	3.6805
Cl3	1.7987	2.9265		2.7026	2.7026	2.8859	2.8859	2.8840	3.6805	3.6805	2.8840
C4	1.5217	2.7026	2.7026		2.5405	1.0924	3.4844	1.0947	1.0947	2.7829	2.7829
C5	1.5217	2.7026	2.7026	2.5405		3.4844	1.0924	2.7829	2.7829	1.0947	1.0947
H6	2.1636	2.8859	2.8859	1.0924	3.4844		4.3093	1.7807	1.7807	3.7782	3.7782
H7	2.1636	2.8859	2.8859	3.4844	1.0924	4.3093		3.7782	3.7782	1.7807	1.7807
H8	2.1494	3.6805	2.8840	1.0947	2.7829	1.7807	3.7782		1.7867	3.1355	2.5766
H9	2.1494	2.8840	3.6805	1.0947	2.7829	1.7807	3.7782	1.7867		2.5766	3.1355
H10	2.1494	2.8840	3.6805	2.7829	1.0947	3.7782	1.7807	3.1355	2.5766		1.7867
H11	2.1494	3.6805	2.8840	2.7829	1.0947	3.7782	1.7807	2.5766	3.1355	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.645	C1	C4	H8	109.386
C1	C4	H9	109.386	C1	C5	H7	110.645
C1	C5	H10	109.386	C1	C5	H11	109.386
Cl2	C1	Cl3	108.875	Cl2	C1	C4	108.678
Cl2	C1	C5	108.678	Cl3	C1	C4	108.678
Cl3	C1	C5	108.678	C4	C1	C5	113.177
H6	C4	H8	109.011	H6	C4	H9	109.011
H7	C5	H10	109.011	H7	C5	H11	109.011
H8	C4	H9	109.381	H10	C5	H11	109.381

All results from a given calculation for CH₃CCl₂CH₃ (Propane, 2,2-dichloro-)

using model chemistry: QCISD/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 CH3CCl2CH3 (Propane, 2,2-dichloro-)

using model chemistry: QCISD/6-311G**

States and conformations

All results from a given calculation for CH₃CCl₂CH₃ (Propane, 2,2-dichloro-)