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	hartrees
Energy at 0K	-41.901679
Energy at 298.15K	-41.911859
Nuclear repulsion energy	107.736464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3267	2951	81.13
2	A	3195	2886	50.39
3	A	1646	1487	5.01
4	A	1571	1419	1.05
5	A	1286	1161	75.60
6	A	872	788	23.48
7	A	609	550	49.68
8	A	392	354	4.60
9	A	3280	2963	0.00
10	A	1603	1448	0.00
11	A	1056	954	0.00
12	A	244	220	0.00
13	A	3287	2969	55.23
13	A	3287	2969	55.23
14	A	3256	2941	10.11
14	A	3256	2941	10.11
15	A	3183	2875	21.95
15	A	3183	2875	21.95
16	A	1628	1471	5.50
16	A	1628	1471	5.50
17	A	1617	1460	0.19
17	A	1617	1460	0.19
18	A	1546	1396	6.07
18	A	1546	1396	6.07
19	A	1369	1237	4.41
19	A	1369	1237	4.41
20	A	1142	1032	0.00
20	A	1142	1032	0.00
21	A	1009	912	0.01
21	A	1009	912	0.01
22	A	427	386	1.19
22	A	427	386	1.19
23	A	316	285	0.90
23	A	316	285	0.90
24	A	305	275	0.03
24	A	305	275	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.071
Cl2	0.000	0.000	1.772
C3	0.000	1.463	-0.525
C4	1.267	-0.732	-0.525
C5	-1.267	-0.732	-0.525
H6	0.000	1.502	-1.613
H7	1.301	-0.751	-1.613
H8	-1.301	-0.751	-1.613
H9	0.880	1.984	-0.163
H10	-0.880	1.984	-0.163
H11	1.278	-1.754	-0.163
H12	2.158	-0.230	-0.163
H13	-2.158	-0.230	-0.163
H14	-1.278	-1.754	-0.163

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8429	1.5320	1.5320	1.5320	2.1526	2.1526	2.1526	2.1725	2.1725	2.1725	2.1725	2.1725	2.1725
Cl2	1.8429		2.7232	2.7232	2.7232	3.7030	3.7030	3.7030	2.9079	2.9079	2.9079	2.9079	2.9079	2.9079
C3	1.5320	2.7232		2.5345	2.5345	1.0886	2.7893	2.7893	1.0849	1.0849	3.4811	2.7668	2.7668	3.4811
C4	1.5320	2.7232	2.5345		2.5345	2.7893	1.0886	2.7893	2.7668	3.4811	1.0849	1.0849	3.4811	2.7668
C5	1.5320	2.7232	2.5345	2.5345		2.7893	2.7893	1.0886	3.4811	2.7668	2.7668	3.4811	1.0849	1.0849
H6	2.1526	3.7030	1.0886	2.7893	2.7893		2.6022	2.6022	1.7630	1.7630	3.7870	3.1240	3.1240	3.7870
H7	2.1526	3.7030	2.7893	1.0886	2.7893	2.6022		2.6022	3.1240	3.7870	1.7630	1.7630	3.7870	3.1240
H8	2.1526	3.7030	2.7893	2.7893	1.0886	2.6022	2.6022		3.7870	3.1240	3.1240	3.7870	1.7630	1.7630
H9	2.1725	2.9079	1.0849	2.7668	3.4811	1.7630	3.1240	3.7870		1.7607	3.7595	2.5561	3.7595	4.3168
H10	2.1725	2.9079	1.0849	3.4811	2.7668	1.7630	3.7870	3.1240	1.7607		4.3168	3.7595	2.5561	3.7595
H11	2.1725	2.9079	3.4811	1.0849	2.7668	3.7870	1.7630	3.1240	3.7595	4.3168		1.7607	3.7595	2.5561
H12	2.1725	2.9079	2.7668	1.0849	3.4811	3.1240	1.7630	3.7870	2.5561	3.7595	1.7607		4.3168	3.7595
H13	2.1725	2.9079	2.7668	3.4811	1.0849	3.1240	3.7870	1.7630	3.7595	2.5561	3.7595	4.3168		1.7607
H14	2.1725	2.9079	3.4811	2.7668	1.0849	3.7870	3.1240	1.7630	4.3168	3.7595	2.5561	3.7595	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.287	C1	C3	H9	111.082
C1	C3	H10	111.082	C1	C4	H7	109.287
C1	C4	H11	111.082	C1	C4	H12	111.082
C1	C5	H8	109.287	C1	C5	H13	111.082
C1	C5	H14	111.082	Cl2	C1	C3	107.229
Cl2	C1	C4	107.229	Cl2	C1	C5	107.229
C3	C1	C4	111.617	C3	C1	C5	111.617
C4	C1	C5	111.617	H6	C3	H9	108.416
H6	C3	H10	108.416	H7	C4	H11	108.416
H7	C4	H12	108.416	H8	C5	H13	108.416
H8	C5	H14	108.416	H9	C3	H10	108.480
H11	C4	H12	108.480	H13	C5	H14	108.480

All results from a given calculation for CH₃CCl(CH₃)CH₃ (Propane, 2-chloro-2-methyl-)

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	0.196
2	Cl	-0.231
3	C	-0.525
4	C	-0.525
5	C	-0.525
6	H	0.161
7	H	0.161
8	H	0.161
9	H	0.187
10	H	0.187
11	H	0.187
12	H	0.187
13	H	0.187
14	H	0.187

<r²>	119.034
(<r²>)^1/2	10.910

All results from a given calculation for CH3CCl(CH3)CH3 (Propane, 2-chloro-2-methyl-)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for CH₃CCl(CH₃)CH₃ (Propane, 2-chloro-2-methyl-)