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	hartrees
Energy at 0K	-609.471631
Energy at 298.15K	-609.481518
Nuclear repulsion energy	238.929753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3757	3067	0.01
2	A	3575	2919	0.61
3	A	1829	1493	2.77
4	A	1737	1419	0.01
5	A	1447	1182	90.66
6	A	995	813	11.63
7	A	719	587	21.06
8	A	405	330	1.40
9	A	3765	3075	0.00
10	A	1807	1475	0.00
11	A	1162	949	0.00
12	A	235	192	0.00
13	A	3768	3076	0.00
13	A	3768	3076	0.00
14	A	3754	3065	0.01
14	A	3754	3065	0.01
15	A	3574	2918	0.12
15	A	3574	2918	0.12
16	A	1819	1486	1.80
16	A	1819	1486	1.80
17	A	1813	1481	0.32
17	A	1813	1481	0.32
18	A	1719	1403	0.30
18	A	1719	1403	0.30
19	A	1508	1232	15.94
19	A	1508	1232	15.94
20	A	1239	1012	0.14
20	A	1239	1012	0.14
21	A	1121	916	1.01
21	A	1121	916	1.01
22	A	440	359	1.35
22	A	440	359	1.35
23	A	321	262	1.80
23	A	321	262	1.80
24	A	278	227	0.02
24	A	278	227	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.353
Cl2	0.000	0.000	1.491
C3	0.000	1.475	-0.821
C4	1.277	-0.737	-0.821
C5	-1.277	-0.737	-0.821
H6	0.000	1.508	-1.907
H7	1.306	-0.754	-1.907
H8	-1.306	-0.754	-1.907
H9	0.883	1.990	-0.456
H10	-0.883	1.990	-0.456
H11	1.282	-1.760	-0.456
H12	2.165	-0.231	-0.456
H13	-2.165	-0.231	-0.456
H14	-1.282	-1.760	-0.456

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8433	1.5473	1.5473	1.5473	2.1651	2.1651	2.1651	2.1798	2.1798	2.1798	2.1798	2.1798	2.1798
Cl2	1.8433		2.7417	2.7417	2.7417	3.7168	3.7168	3.7168	2.9205	2.9205	2.9205	2.9205	2.9205	2.9205
C3	1.5473	2.7417		2.5546	2.5546	1.0866	2.8021	2.8021	1.0853	1.0853	3.4985	2.7803	2.7803	3.4985
C4	1.5473	2.7417	2.5546		2.5546	2.8021	1.0866	2.8021	2.7803	3.4985	1.0853	1.0853	3.4985	2.7803
C5	1.5473	2.7417	2.5546	2.5546		2.8021	2.8021	1.0866	3.4985	2.7803	2.7803	3.4985	1.0853	1.0853
H6	2.1651	3.7168	1.0866	2.8021	2.8021		2.6112	2.6112	1.7656	1.7656	3.7979	3.1328	3.1328	3.7979
H7	2.1651	3.7168	2.8021	1.0866	2.8021	2.6112		2.6112	3.1328	3.7979	1.7656	1.7656	3.7979	3.1328
H8	2.1651	3.7168	2.8021	2.8021	1.0866	2.6112	2.6112		3.7979	3.1328	3.1328	3.7979	1.7656	1.7656
H9	2.1798	2.9205	1.0853	2.7803	3.4985	1.7656	3.1328	3.7979		1.7654	3.7712	2.5647	3.7712	4.3301
H10	2.1798	2.9205	1.0853	3.4985	2.7803	1.7656	3.7979	3.1328	1.7654		4.3301	3.7712	2.5647	3.7712
H11	2.1798	2.9205	3.4985	1.0853	2.7803	3.7979	1.7656	3.1328	3.7712	4.3301		1.7654	3.7712	2.5647
H12	2.1798	2.9205	2.7803	1.0853	3.4985	3.1328	1.7656	3.7979	2.5647	3.7712	1.7654		4.3301	3.7712
H13	2.1798	2.9205	2.7803	3.4985	1.0853	3.1328	3.7979	1.7656	3.7712	2.5647	3.7712	4.3301		1.7654
H14	2.1798	2.9205	3.4985	2.7803	1.0853	3.7979	3.1328	1.7656	4.3301	3.7712	2.5647	3.7712	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.322	C1	C3	H9	110.554
C1	C3	H10	110.554	C1	C4	H7	109.322
C1	C4	H11	110.554	C1	C4	H12	110.554
C1	C5	H8	109.322	C1	C5	H13	110.554
C1	C5	H14	110.554	Cl2	C1	C3	107.599
Cl2	C1	C4	107.599	Cl2	C1	C5	107.599
C3	C1	C4	111.277	C3	C1	C5	111.277
C4	C1	C5	111.277	H6	C3	H9	108.763
H6	C3	H10	108.763	H7	C4	H11	108.763
H7	C4	H12	108.763	H8	C5	H13	108.763
H8	C5	H14	108.763	H9	C3	H10	108.842
H11	C4	H12	108.842	H13	C5	H14	108.842

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

using model chemistry: HF/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	0.109
2	Cl	-0.228
3	C	-0.178
4	C	-0.178
5	C	-0.178
6	H	0.068
7	H	0.068
8	H	0.068
9	H	0.075
10	H	0.075
11	H	0.075
12	H	0.075
13	H	0.075
14	H	0.075

<r²>	160.836
(<r²>)^1/2	12.682

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

using model chemistry: HF/STO-3G

States and conformations

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