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	hartrees
Energy at 0K	-41.803957
Energy at 298.15K	-41.814034
Nuclear repulsion energy	106.500945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3309	2983	102.07
2	A	3222	2904	73.70
3	A	1650	1487	14.42
4	A	1581	1425	3.14
5	A	1294	1167	119.83
6	A	859	774	22.56
7	A	549	495	77.41
8	A	380	343	12.83
9	A	3322	2995	0.00
10	A	1608	1449	0.00
11	A	1081	975	0.00
12	A	243	219	0.00
13	A	3331	3002	72.43
13	A	3331	3002	72.43
14	A	3298	2972	14.88
14	A	3298	2972	14.88
15	A	3212	2895	30.23
15	A	3212	2895	30.23
16	A	1630	1470	8.03
16	A	1630	1470	8.03
17	A	1625	1465	1.61
17	A	1625	1465	1.61
18	A	1558	1404	11.89
18	A	1558	1404	11.89
19	A	1399	1261	10.53
19	A	1399	1261	10.53
20	A	1155	1042	0.03
20	A	1155	1042	0.03
21	A	1028	926	0.79
21	A	1028	926	0.79
22	A	425	383	0.93
22	A	425	383	0.93
23	A	306	276	1.57
23	A	306	276	1.57
24	A	292	263	0.00
24	A	292	263	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.105
Cl2	0.000	0.000	1.825
C3	0.000	1.475	-0.538
C4	1.278	-0.738	-0.538
C5	-1.278	-0.738	-0.538
H6	0.000	1.523	-1.629
H7	1.319	-0.761	-1.629
H8	-1.319	-0.761	-1.629
H9	0.882	1.992	-0.169
H10	-0.882	1.992	-0.169
H11	1.284	-1.760	-0.169
H12	2.166	-0.232	-0.169
H13	-2.166	-0.232	-0.169
H14	-1.284	-1.760	-0.169

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.9298	1.5378	1.5378	1.5378	2.1545	2.1545	2.1545	2.1796	2.1796	2.1796	2.1796	2.1796	2.1796
Cl2	1.9298		2.7860	2.7860	2.7860	3.7747	3.7747	3.7747	2.9535	2.9535	2.9535	2.9535	2.9535	2.9535
C3	1.5378	2.7860		2.5555	2.5555	1.0917	2.8164	2.8164	1.0868	1.0868	3.5004	2.7828	2.7828	3.5004
C4	1.5378	2.7860	2.5555		2.5555	2.8164	1.0917	2.8164	2.7828	3.5004	1.0868	1.0868	3.5004	2.7828
C5	1.5378	2.7860	2.5555	2.5555		2.8164	2.8164	1.0917	3.5004	2.7828	2.7828	3.5004	1.0868	1.0868
H6	2.1545	3.7747	1.0917	2.8164	2.8164		2.6375	2.6375	1.7689	1.7689	3.8152	3.1469	3.1469	3.8152
H7	2.1545	3.7747	2.8164	1.0917	2.8164	2.6375		2.6375	3.1469	3.8152	1.7689	1.7689	3.8152	3.1469
H8	2.1545	3.7747	2.8164	2.8164	1.0917	2.6375	2.6375		3.8152	3.1469	3.1469	3.8152	1.7689	1.7689
H9	2.1796	2.9535	1.0868	2.7828	3.5004	1.7689	3.1469	3.8152		1.7643	3.7735	2.5682	3.7735	4.3325
H10	2.1796	2.9535	1.0868	3.5004	2.7828	1.7689	3.8152	3.1469	1.7643		4.3325	3.7735	2.5682	3.7735
H11	2.1796	2.9535	3.5004	1.0868	2.7828	3.8152	1.7689	3.1469	3.7735	4.3325		1.7643	3.7735	2.5682
H12	2.1796	2.9535	2.7828	1.0868	3.5004	3.1469	1.7689	3.8152	2.5682	3.7735	1.7643		4.3325	3.7735
H13	2.1796	2.9535	2.7828	3.5004	1.0868	3.1469	3.8152	1.7689	3.7735	2.5682	3.7735	4.3325		1.7643
H14	2.1796	2.9535	3.5004	2.7828	1.0868	3.8152	3.1469	1.7689	4.3325	3.7735	2.5682	3.7735	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	108.856	C1	C3	H9	111.124
C1	C3	H10	111.124	C1	C4	H7	108.855
C1	C4	H11	111.124	C1	C4	H12	111.124
C1	C5	H8	108.855	C1	C5	H13	111.124
C1	C5	H14	111.124	Cl2	C1	C3	106.370
Cl2	C1	C4	106.370	Cl2	C1	C5	106.370
C3	C1	C4	112.386	C3	C1	C5	112.386
C4	C1	C5	112.386	H6	C3	H9	108.576
H6	C3	H10	108.576	H7	C4	H11	108.576
H7	C4	H12	108.576	H8	C5	H13	108.576
H8	C5	H14	108.576	H9	C3	H10	108.517
H11	C4	H12	108.517	H13	C5	H14	108.517

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

using model chemistry: HF/CEP-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	-0.098
2	Cl	-0.199
3	C	-0.288
4	C	-0.288
5	C	-0.288
6	H	0.096
7	H	0.096
8	H	0.096
9	H	0.146
10	H	0.146
11	H	0.146
12	H	0.146
13	H	0.146
14	H	0.146

<r²>	121.893
(<r²>)^1/2	11.041

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

using model chemistry: HF/CEP-31G

States and conformations

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