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	hartrees
Energy at 0K	-617.996282
Energy at 298.15K	-618.006121
HF Energy	-617.996282
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	2998	41.66
2	A₁	3081	2923	23.47
3	A₁	1545	1466	8.31
4	A₁	1461	1386	4.09
5	A₁	1207	1145	71.70
6	A₁	840	797	12.61
7	A₁	600	569	31.04
8	A₁	380	361	3.74
9	A₂	3174	3011	0.00
10	A₂	1499	1422	0.00
11	A₂	985	934	0.00
12	A₂	206	196	0.00
13	E	3178	3014	25.36
13	E	3178	3014	25.29
14	E	3154	2992	5.17
14	E	3154	2992	5.21
15	E	3075	2916	14.57
15	E	3075	2916	14.59
16	E	1527	1448	6.61
16	E	1527	1448	6.62
17	E	1512	1434	0.61
17	E	1512	1434	0.63
18	E	1435	1361	15.15
18	E	1435	1361	15.17
19	E	1285	1219	7.17
19	E	1285	1219	7.20
20	E	1065	1010	0.00
20	E	1065	1010	0.00
21	E	949	900	0.38
21	E	949	900	0.39
22	E	413	392	0.61
22	E	413	391	0.61
23	E	305	289	0.98
23	E	305	289	0.99
24	E	271	257	0.00
24	E	271	257	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.321
Cl2	0.000	0.000	1.473
C3	0.000	1.414	-0.816
C4	1.225	-0.707	-0.816
C5	-1.225	-0.707	-0.816
H6	0.000	1.413	-1.872
H7	1.224	-0.707	-1.872
H8	-1.224	-0.707	-1.872
H9	0.861	1.927	-0.468
H10	-0.861	1.927	-0.468
H11	1.238	-1.709	-0.468
H12	2.099	-0.218	-0.468
H13	-2.099	-0.218	-0.468
H14	-1.238	-1.709	-0.468

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.7939	1.4987	1.4987	1.4987	2.0984	2.0984	2.0984	2.1155	2.1155	2.1155	2.1155	2.1155	2.1155
Cl2	1.7939		2.6913	2.6913	2.6913	3.6315	3.6315	3.6315	2.8677	2.8677	2.8677	2.8677	2.8677	2.8677
C3	1.4987	2.6913		2.4497	2.4497	1.0556	2.6665	2.6665	1.0605	1.0605	3.3777	2.6818	2.6818	3.3777
C4	1.4987	2.6913	2.4497		2.4497	2.6665	1.0556	2.6665	2.6818	3.3777	1.0605	1.0605	3.3777	2.6818
C5	1.4987	2.6913	2.4497	2.4497		2.6665	2.6665	1.0556	3.3777	2.6818	2.6818	3.3777	1.0605	1.0605
H6	2.0984	3.6315	1.0556	2.6665	2.6665		2.4475	2.4475	1.7248	1.7248	3.6401	3.0061	3.0061	3.6401
H7	2.0984	3.6315	2.6665	1.0556	2.6665	2.4475		2.4475	3.0061	3.6401	1.7248	1.7248	3.6401	3.0061
H8	2.0984	3.6315	2.6665	2.6665	1.0556	2.4475	2.4475		3.6401	3.0061	3.0061	3.6401	1.7248	1.7248
H9	2.1155	2.8677	1.0605	2.6818	3.3777	1.7248	3.0061	3.6401		1.7215	3.6553	2.4767	3.6553	4.1982
H10	2.1155	2.8677	1.0605	3.3777	2.6818	1.7248	3.6401	3.0061	1.7215		4.1982	3.6553	2.4767	3.6553
H11	2.1155	2.8677	3.3777	1.0605	2.6818	3.6401	1.7248	3.0061	3.6553	4.1982		1.7215	3.6553	2.4767
H12	2.1155	2.8677	2.6818	1.0605	3.3777	3.0061	1.7248	3.6401	2.4767	3.6553	1.7215		4.1982	3.6553
H13	2.1155	2.8677	2.6818	3.3777	1.0605	3.0061	3.6401	1.7248	3.6553	2.4767	3.6553	4.1982		1.7215
H14	2.1155	2.8677	3.3777	2.6818	1.0605	3.6401	3.0061	1.7248	4.1982	3.6553	2.4767	3.6553	1.7215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.247	C1	C3	H9	110.334
C1	C3	H10	110.334	C1	C4	H7	109.247
C1	C4	H11	110.334	C1	C4	H12	110.334
C1	C5	H8	109.247	C1	C5	H13	110.334
C1	C5	H14	110.334	Cl2	C1	C3	109.317
Cl2	C1	C4	109.317	Cl2	C1	C5	109.317
C3	C1	C4	109.625	C3	C1	C5	109.625
C4	C1	C5	109.625	H6	C3	H9	109.195
H6	C3	H10	109.195	H7	C4	H11	109.195
H7	C4	H12	109.195	H8	C5	H13	109.195
H8	C5	H14	109.195	H9	C3	H10	108.510
H11	C4	H12	108.510	H13	C5	H14	108.510

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

using model chemistry: wB97X-D/6-31G*

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	-0.080
2	Cl	-0.106
3	C	-0.474
4	C	-0.474
5	C	-0.474
6	H	0.168
7	H	0.168
8	H	0.168
9	H	0.184
10	H	0.184
11	H	0.184
12	H	0.184
13	H	0.184
14	H	0.184

	x	y	z
x	7.197	0.000	0.000
y	0.000	7.198	-0.002
z	0.000	-0.002	9.008

<r²>	159.812
(<r²>)^1/2	12.642

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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