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	hartrees
Energy at 0K	-49.251150
Energy at 298.15K
HF Energy	-49.251150
Nuclear repulsion energy	99.275508

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	3298	3010	15.09	71.25	0.74	0.85
2	A₁	3178	2900	24.00	275.13	0.01	0.01
3	A₁	1622	1480	2.99	21.46	0.74	0.85
4	A₁	1574	1436	4.23	0.76	0.51	0.67
5	A₁	1303	1189	51.21	4.32	0.31	0.47
6	A₁	989	902	11.22	12.80	0.75	0.85
7	A₁	558	509	30.99	29.26	0.06	0.11
8	A₁	377	344	1.12	5.19	0.36	0.53
9	A₁	261	238	1.86	6.42	0.65	0.79
10	A₂	3266	2980	0.00	11.27	0.75	0.86
11	A₂	1615	1473	0.00	23.32	0.75	0.86
12	A₂	1136	1036	0.00	3.72	0.75	0.86
13	A₂	293	267	0.00	1.96	0.75	0.86
14	A₂	265	241	0.00	0.00	0.75	0.86
15	B₁	3275	2988	33.94	135.73	0.75	0.86
16	B₁	1632	1489	9.93	0.00	0.75	0.86
17	B₁	1253	1143	118.78	4.86	0.75	0.86
18	B₁	661	604	149.62	31.58	0.75	0.86
19	B₁	376	343	3.46	4.12	0.75	0.86
20	B₁	301	275	0.04	0.01	0.75	0.86
21	B₂	3295	3007	12.45	37.60	0.75	0.86
22	B₂	3172	2894	7.77	0.69	0.75	0.86
23	B₂	1608	1467	6.57	0.00	0.75	0.86
24	B₂	1557	1421	15.28	2.15	0.75	0.86
25	B₂	1335	1218	7.26	0.69	0.75	0.86
26	B₂	1054	962	0.41	2.66	0.75	0.86
27	B₂	397	362	7.25	2.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.374
Cl2	1.509	0.000	-0.735
Cl3	-1.509	0.000	-0.735
C4	0.000	1.288	1.196
C5	0.000	-1.288	1.196
H6	0.000	2.158	0.554
H7	0.000	-2.158	0.554
H8	-0.884	1.314	1.824
H9	0.884	1.314	1.824
H10	0.884	-1.314	1.824
H11	-0.884	-1.314	1.824

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8731	1.8731	1.5283	1.5283	2.1659	2.1659	2.1471	2.1471	2.1471	2.1471
Cl2	1.8731		3.0186	2.7690	2.7690	2.9325	2.9325	3.7420	2.9440	2.9440	3.7420
Cl3	1.8731	3.0186		2.7690	2.7690	2.9325	2.9325	2.9440	3.7420	3.7420	2.9440
C4	1.5283	2.7690	2.7690		2.5767	1.0811	3.5059	1.0843	1.0843	2.8193	2.8193
C5	1.5283	2.7690	2.7690	2.5767		3.5059	1.0811	2.8193	2.8193	1.0843	1.0843
H6	2.1659	2.9325	2.9325	1.0811	3.5059		4.3167	1.7622	1.7622	3.8015	3.8015
H7	2.1659	2.9325	2.9325	3.5059	1.0811	4.3167		3.8015	3.8015	1.7622	1.7622
H8	2.1471	3.7420	2.9440	1.0843	2.8193	1.7622	3.8015		1.7675	3.1674	2.6284
H9	2.1471	2.9440	3.7420	1.0843	2.8193	1.7622	3.8015	1.7675		2.6284	3.1674
H10	2.1471	2.9440	3.7420	2.8193	1.0843	3.8015	1.7622	3.1674	2.6284		1.7675
H11	2.1471	3.7420	2.9440	2.8193	1.0843	3.8015	1.7622	2.6284	3.1674	1.7675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.046	C1	C4	H8	109.360
C1	C4	H9	109.360	C1	C5	H7	111.046
C1	C5	H10	109.360	C1	C5	H11	109.360
Cl2	C1	Cl3	107.373	Cl2	C1	C4	108.574
Cl2	C1	C5	108.574	Cl3	C1	C4	108.574
Cl3	C1	C5	108.574	C4	C1	C5	114.921
H6	C4	H8	108.936	H6	C4	H9	108.936
H7	C5	H10	108.936	H7	C5	H11	108.936
H8	C4	H9	109.175	H10	C5	H11	109.175

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.318
2	Cl	-0.012
3	Cl	-0.012
4	C	-0.378
5	C	-0.378
6	H	0.198
7	H	0.198
8	H	0.175
9	H	0.175
10	H	0.175
11	H	0.175

<r²>	125.943
(<r²>)^1/2	11.222

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

using model chemistry: HF/CEP-121G

States and conformations

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