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	hartrees
Energy at 0K	-1037.853085
Energy at 298.15K
HF Energy	-1037.634980
Nuclear repulsion energy	294.157755

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	3201	3038	7.39	72.86	0.73	0.84
2	A₁	3101	2944	10.89	204.16	0.01	0.01
3	A₁	1537	1459	2.33	25.90	0.75	0.86
4	A₁	1469	1394	5.00	3.11	0.32	0.49
5	A₁	1215	1153	34.91	1.10	0.13	0.23
6	A₁	944	896	10.15	8.07	0.75	0.86
7	A₁	569	540	17.82	14.36	0.04	0.08
8	A₁	371	352	0.85	2.49	0.33	0.50
9	A₁	260	247	1.21	4.09	0.65	0.78
10	A₂	3175	3014	0.00	10.57	0.75	0.86
11	A₂	1527	1449	0.00	26.93	0.75	0.86
12	A₂	1055	1001	0.00	3.53	0.75	0.86
13	A₂	290	275	0.00	1.07	0.75	0.86
14	A₂	279	265	0.00	0.20	0.75	0.86
15	B₁	3181	3020	19.25	124.63	0.75	0.86
16	B₁	1547	1469	6.97	0.02	0.75	0.86
17	B₁	1173	1113	86.62	0.69	0.75	0.86
18	B₁	671	637	103.09	14.28	0.75	0.86
19	B₁	367	348	3.18	1.60	0.75	0.86
20	B₁	313	297	0.01	0.00	0.75	0.86
21	B₂	3200	3037	5.05	36.70	0.75	0.86
22	B₂	3097	2940	4.12	0.51	0.75	0.86
23	B₂	1523	1446	4.43	0.06	0.75	0.86
24	B₂	1451	1378	12.41	5.51	0.75	0.86
25	B₂	1242	1179	7.54	0.11	0.75	0.86
26	B₂	976	927	0.04	2.25	0.75	0.86
27	B₂	395	375	3.75	1.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.341
Cl2	1.471	0.000	-0.719
Cl3	-1.471	0.000	-0.719
C4	0.000	1.271	1.175
C5	0.000	-1.271	1.175
H6	0.000	2.154	0.536
H7	0.000	-2.154	0.536
H8	-0.890	1.290	1.808
H9	0.890	1.290	1.808
H10	0.890	-1.290	1.808
H11	-0.890	-1.290	1.808

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8132	1.8132	1.5198	1.5198	2.1630	2.1630	2.1465	2.1465	2.1465	2.1465
Cl2	1.8132		2.9419	2.7137	2.7137	2.8945	2.8945	3.6910	2.8959	2.8959	3.6910
Cl3	1.8132	2.9419		2.7137	2.7137	2.8945	2.8945	2.8959	3.6910	3.6910	2.8959
C4	1.5198	2.7137	2.7137		2.5418	1.0901	3.4842	1.0926	1.0926	2.7841	2.7841
C5	1.5198	2.7137	2.7137	2.5418		3.4842	1.0901	2.7841	2.7841	1.0926	1.0926
H6	2.1630	2.8945	2.8945	1.0901	3.4842		4.3084	1.7770	1.7770	3.7779	3.7779
H7	2.1630	2.8945	2.8945	3.4842	1.0901	4.3084		3.7779	3.7779	1.7770	1.7770
H8	2.1465	3.6910	2.8959	1.0926	2.7841	1.7770	3.7779		1.7802	3.1344	2.5798
H9	2.1465	2.8959	3.6910	1.0926	2.7841	1.7770	3.7779	1.7802		2.5798	3.1344
H10	2.1465	2.8959	3.6910	2.7841	1.0926	3.7779	1.7770	3.1344	2.5798		1.7802
H11	2.1465	3.6910	2.8959	2.7841	1.0926	3.7779	1.7770	2.5798	3.1344	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.868	C1	C4	H8	109.413
C1	C4	H9	109.413	C1	C5	H7	110.868
C1	C5	H10	109.413	C1	C5	H11	109.413
Cl2	C1	Cl3	108.438	Cl2	C1	C4	108.700
Cl2	C1	C5	108.700	Cl3	C1	C4	108.700
Cl3	C1	C5	108.700	C4	C1	C5	113.491
H6	C4	H8	109.005	H6	C4	H9	109.005
H7	C5	H10	109.005	H7	C5	H11	109.005
H8	C4	H9	109.109	H10	C5	H11	109.109

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.172
2	Cl	-0.031
3	Cl	-0.031
4	C	-0.439
5	C	-0.439
6	H	0.195
7	H	0.195
8	H	0.180
9	H	0.180
10	H	0.180
11	H	0.180

<r²>	188.538
(<r²>)^1/2	13.731

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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