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	hartrees
Energy at 0K	-1026.340790
Energy at 298.15K
HF Energy	-1026.340790
Nuclear repulsion energy	286.317526

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	3435	3139	1.45	38.33	0.75	0.86
2	A₁	3254	2973	0.29	100.09	0.00	0.01
3	A₁	1608	1469	1.53	25.42	0.75	0.86
4	A₁	1510	1379	1.61	5.70	0.24	0.38
5	A₁	1245	1138	57.72	1.78	0.06	0.11
6	A₁	959	876	7.87	8.34	0.70	0.82
7	A₁	582	531	13.35	13.47	0.03	0.05
8	A₁	349	319	0.18	1.86	0.43	0.60
9	A₁	236	216	3.57	3.51	0.71	0.83
10	A₂	3419	3124	0.00	5.72	0.75	0.86
11	A₂	1604	1465	0.00	26.72	0.75	0.86
12	A₂	1067	975	0.00	3.58	0.75	0.86
13	A₂	262	239	0.00	1.56	0.75	0.86
14	A₂	225	205	0.00	0.02	0.75	0.86
15	B₁	3421	3125	1.41	63.51	0.75	0.86
16	B₁	1615	1475	6.21	0.23	0.75	0.86
17	B₁	1212	1107	109.15	0.01	0.75	0.86
18	B₁	740	676	62.89	8.30	0.75	0.86
19	B₁	341	312	1.22	1.30	0.75	0.86
20	B₁	247	225	0.02	0.01	0.75	0.86
21	B₂	3434	3137	0.43	19.32	0.75	0.86
22	B₂	3253	2972	1.51	0.25	0.75	0.86
23	B₂	1599	1461	2.73	0.11	0.75	0.86
24	B₂	1495	1366	6.01	8.79	0.75	0.86
25	B₂	1265	1156	30.11	0.09	0.75	0.86
26	B₂	997	911	0.13	1.49	0.75	0.86
27	B₂	364	333	6.47	2.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.352
Cl2	1.521	0.000	-0.735
Cl3	-1.521	0.000	-0.735
C4	0.000	1.307	1.201
C5	0.000	-1.307	1.201
H6	0.000	2.194	0.542
H7	0.000	-2.194	0.542
H8	-0.903	1.326	1.841
H9	0.903	1.326	1.841
H10	0.903	-1.326	1.841
H11	-0.903	-1.326	1.841

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8696	1.8696	1.5583	1.5583	2.2024	2.2024	2.1891	2.1891	2.1891	2.1891
Cl2	1.8696		3.0428	2.7873	2.7873	2.9596	2.9596	3.7779	2.9625	2.9625	3.7779
Cl3	1.8696	3.0428		2.7873	2.7873	2.9596	2.9596	2.9625	3.7779	3.7779	2.9625
C4	1.5583	2.7873	2.7873		2.6131	1.1055	3.5622	1.1072	1.1072	2.8557	2.8557
C5	1.5583	2.7873	2.7873	2.6131		3.5622	1.1055	2.8557	2.8557	1.1072	1.1072
H6	2.2024	2.9596	2.9596	1.1055	3.5622		4.3883	1.8049	1.8049	3.8593	3.8593
H7	2.2024	2.9596	2.9596	3.5622	1.1055	4.3883		3.8593	3.8593	1.8049	1.8049
H8	2.1891	3.7779	2.9625	1.1072	2.8557	1.8049	3.8593		1.8061	3.2084	2.6517
H9	2.1891	2.9625	3.7779	1.1072	2.8557	1.8049	3.8593	1.8061		2.6517	3.2084
H10	2.1891	2.9625	3.7779	2.8557	1.1072	3.8593	1.8049	3.2084	2.6517		1.8061
H11	2.1891	3.7779	2.9625	2.8557	1.1072	3.8593	1.8049	2.6517	3.2084	1.8061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.385	C1	C4	H8	109.256
C1	C4	H9	109.256	C1	C5	H7	110.385
C1	C5	H10	109.256	C1	C5	H11	109.256
Cl2	C1	Cl3	108.933	Cl2	C1	C4	108.466
Cl2	C1	C5	108.466	Cl3	C1	C4	108.466
Cl3	C1	C5	108.466	C4	C1	C5	113.952
H6	C4	H8	109.313	H6	C4	H9	109.313
H7	C5	H10	109.313	H7	C5	H11	109.313
H8	C4	H9	109.302	H10	C5	H11	109.302

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

using model chemistry: PBEPBE/STO-3G

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	0.092
2	Cl	-0.135
3	Cl	-0.135
4	C	-0.227
5	C	-0.227
6	H	0.110
7	H	0.110
8	H	0.103
9	H	0.103
10	H	0.103
11	H	0.103

<r²>	195.901
(<r²>)^1/2	13.996

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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