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	hartrees
Energy at 0K	-49.611667
Energy at 298.15K
HF Energy	-49.248872
Nuclear repulsion energy	97.905055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3117	3042	13.57	67.36	0.75	0.85
2	A₁	2987	2915	18.84	269.23	0.00	0.01
3	A₁	1511	1475	2.90	19.01	0.74	0.85
4	A₁	1467	1431	5.31	0.96	0.73	0.84
5	A₁	1216	1187	38.39	3.25	0.21	0.35
6	A₁	922	900	9.04	10.11	0.74	0.85
7	A₁	521	509	16.49	21.14	0.05	0.09
8	A₁	351	342	0.67	4.22	0.39	0.56
9	A₁	240	235	1.29	7.02	0.66	0.79
10	A₂	3091	3017	0.00	11.79	0.75	0.86
11	A₂	1498	1462	0.00	22.85	0.75	0.86
12	A₂	1049	1024	0.00	3.66	0.75	0.86
13	A₂	274	267	0.00	2.15	0.75	0.86
14	A₂	258	252	0.00	0.02	0.75	0.86
15	B₁	3097	3023	29.32	131.06	0.75	0.86
16	B₁	1517	1480	10.15	0.02	0.75	0.86
17	B₁	1166	1138	74.52	5.20	0.75	0.86
18	B₁	625	610	79.82	22.84	0.75	0.86
19	B₁	348	340	1.42	3.23	0.75	0.86
20	B₁	297	290	0.02	0.01	0.75	0.86
21	B₂	3114	3039	10.45	38.00	0.75	0.86
22	B₂	2983	2912	7.64	0.89	0.75	0.86
23	B₂	1493	1457	6.02	0.00	0.75	0.86
24	B₂	1447	1412	16.48	2.78	0.75	0.86
25	B₂	1239	1209	10.88	0.04	0.75	0.86
26	B₂	974	950	0.00	1.59	0.75	0.86
27	B₂	364	355	5.24	2.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.379
Cl2	1.537	0.000	-0.742
Cl3	-1.537	0.000	-0.742
C4	0.000	1.305	1.207
C5	0.000	-1.305	1.207
H6	0.000	2.185	0.549
H7	0.000	-2.185	0.549
H8	-0.900	1.330	1.842
H9	0.900	1.330	1.842
H10	0.900	-1.330	1.842
H11	-0.900	-1.330	1.842

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.9027	1.9027	1.5456	1.5456	2.1918	2.1918	2.1728	2.1728	2.1728	2.1728
Cl2	1.9027		3.0747	2.8047	2.8047	2.9675	2.9675	3.7935	2.9755	2.9755	3.7935
Cl3	1.9027	3.0747		2.8047	2.8047	2.9675	2.9675	2.9755	3.7935	3.7935	2.9755
C4	1.5456	2.8047	2.8047		2.6098	1.0989	3.5515	1.1019	1.1019	2.8564	2.8564
C5	1.5456	2.8047	2.8047	2.6098		3.5515	1.0989	2.8564	2.8564	1.1019	1.1019
H6	2.1918	2.9675	2.9675	1.0989	3.5515		4.3702	1.7922	1.7922	3.8524	3.8524
H7	2.1918	2.9675	2.9675	3.5515	1.0989	4.3702		3.8524	3.8524	1.7922	1.7922
H8	2.1728	3.7935	2.9755	1.1019	2.8564	1.7922	3.8524		1.8007	3.2130	2.6610
H9	2.1728	2.9755	3.7935	1.1019	2.8564	1.7922	3.8524	1.8007		2.6610	3.2130
H10	2.1728	2.9755	3.7935	2.8564	1.1019	3.8524	1.7922	3.2130	2.6610		1.8007
H11	2.1728	3.7935	2.9755	2.8564	1.1019	3.8524	1.7922	2.6610	3.2130	1.8007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.822	C1	C4	H8	109.166
C1	C4	H9	109.166	C1	C5	H7	110.822
C1	C5	H10	109.166	C1	C5	H11	109.166
Cl2	C1	Cl3	107.797	Cl2	C1	C4	108.406
Cl2	C1	C5	108.406	Cl3	C1	C4	108.406
Cl3	C1	C5	108.406	C4	C1	C5	115.192
H6	C4	H8	109.042	H6	C4	H9	109.042
H7	C5	H10	109.042	H7	C5	H11	109.042
H8	C4	H9	109.587	H10	C5	H11	109.587

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

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

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