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	hartrees
Energy at 0K	-1038.007688
Energy at 298.15K
HF Energy	-1037.719098
Nuclear repulsion energy	294.424243

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	3170	3170	8.11	72.75	0.74	0.85
2	A₁	3073	3073	11.66	248.15	0.01	0.01
3	A₁	1504	1504	2.90	13.36	0.73	0.85
4	A₁	1442	1442	5.00	0.36	0.71	0.83
5	A₁	1196	1196	38.12	1.97	0.35	0.51
6	A₁	937	937	9.24	6.30	0.75	0.86
7	A₁	567	567	16.53	13.40	0.04	0.08
8	A₁	370	370	1.09	2.81	0.47	0.64
9	A₁	262	262	0.70	4.77	0.62	0.77
10	A₂	3146	3146	0.00	13.47	0.75	0.86
11	A₂	1490	1490	0.00	16.52	0.75	0.86
12	A₂	1038	1038	0.00	1.37	0.75	0.86
13	A₂	290	290	0.00	1.61	0.75	0.86
14	A₂	279	279	0.00	0.07	0.75	0.86
15	B₁	3152	3152	20.67	134.14	0.75	0.86
16	B₁	1511	1511	5.60	0.03	0.75	0.86
17	B₁	1151	1151	88.69	3.87	0.75	0.86
18	B₁	662	662	106.53	14.61	0.75	0.86
19	B₁	367	367	3.60	2.10	0.75	0.86
20	B₁	317	317	0.01	0.01	0.75	0.86
21	B₂	3168	3168	5.00	40.00	0.75	0.86
22	B₂	3069	3069	3.92	1.32	0.75	0.86
23	B₂	1487	1487	3.83	0.00	0.75	0.86
24	B₂	1422	1422	13.89	1.51	0.75	0.86
25	B₂	1229	1229	6.97	0.53	0.75	0.86
26	B₂	965	965	0.03	1.42	0.75	0.86
27	B₂	393	393	2.86	0.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.344
Cl2	1.470	0.000	-0.718
Cl3	-1.470	0.000	-0.718
C4	0.000	1.270	1.173
C5	0.000	-1.270	1.173
H6	0.000	2.151	0.532
H7	0.000	-2.151	0.532
H8	-0.890	1.291	1.804
H9	0.890	1.291	1.804
H10	0.890	-1.291	1.804
H11	-0.890	-1.291	1.804

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8131	1.8131	1.5170	1.5170	2.1588	2.1588	2.1429	2.1429	2.1429	2.1429
Cl2	1.8131		2.9394	2.7110	2.7110	2.8893	2.8893	3.6873	2.8925	2.8925	3.6873
Cl3	1.8131	2.9394		2.7110	2.7110	2.8893	2.8893	2.8925	3.6873	3.6873	2.8925
C4	1.5170	2.7110	2.7110		2.5406	1.0886	3.4803	1.0912	1.0912	2.7840	2.7840
C5	1.5170	2.7110	2.7110	2.5406		3.4803	1.0886	2.7840	2.7840	1.0912	1.0912
H6	2.1588	2.8893	2.8893	1.0886	3.4803		4.3010	1.7744	1.7744	3.7754	3.7754
H7	2.1588	2.8893	2.8893	3.4803	1.0886	4.3010		3.7754	3.7754	1.7744	1.7744
H8	2.1429	3.6873	2.8925	1.0912	2.7840	1.7744	3.7754		1.7792	3.1356	2.5819
H9	2.1429	2.8925	3.6873	1.0912	2.7840	1.7744	3.7754	1.7792		2.5819	3.1356
H10	2.1429	2.8925	3.6873	2.7840	1.0912	3.7754	1.7744	3.1356	2.5819		1.7792
H11	2.1429	3.6873	2.8925	2.7840	1.0912	3.7754	1.7744	2.5819	3.1356	1.7792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.819	C1	C4	H8	109.405
C1	C4	H9	109.405	C1	C5	H7	110.819
C1	C5	H10	109.405	C1	C5	H11	109.405
Cl2	C1	Cl3	108.311	Cl2	C1	C4	108.669
Cl2	C1	C5	108.669	Cl3	C1	C4	108.669
Cl3	C1	C5	108.669	C4	C1	C5	113.726
H6	C4	H8	108.983	H6	C4	H9	108.983
H7	C5	H10	108.983	H7	C5	H11	108.983
H8	C4	H9	109.223	H10	C5	H11	109.223

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

using model chemistry: B2PLYP=FULLultrafine/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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Number	Element	Mulliken
1	C	-0.367
2	Cl	-0.030
3	Cl	-0.030
4	C	-0.199
5	C	-0.199
6	H	0.151
7	H	0.151
8	H	0.131
9	H	0.131
10	H	0.131
11	H	0.131

<r²>	188.780
(<r²>)^1/2	13.740

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

States and conformations

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