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	hartrees
Energy at 0K	-616.806235
Energy at 298.15K	-616.816410
HF Energy	-616.205633
Nuclear repulsion energy	241.860063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	3003	43.86
2	A	3168	2933	22.31
3	A	1609	1489	7.59
4	A	1531	1417	3.42
5	A	1270	1175	67.92
6	A	879	813	13.85
7	A	625	579	30.95
8	A	394	364	3.10
9	A	3256	3014	0.00
10	A	1567	1450	0.00
11	A	1032	956	0.00
12	A	255	236	0.00
13	A	3260	3018	26.85
13	A	3260	3018	26.85
14	A	3236	2996	4.53
14	A	3236	2996	4.53
15	A	3158	2924	13.23
15	A	3158	2924	13.23
16	A	1592	1474	6.19
16	A	1592	1474	6.19
17	A	1579	1462	0.57
17	A	1579	1462	0.57
18	A	1506	1394	12.81
18	A	1506	1394	12.81
19	A	1349	1249	4.83
19	A	1349	1249	4.83
20	A	1117	1034	0.01
20	A	1117	1034	0.01
21	A	998	924	0.41
21	A	998	924	0.41
22	A	428	396	0.61
22	A	428	396	0.61
23	A	318	295	0.73
23	A	318	295	0.73
24	A	309	286	0.09
24	A	309	286	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.349
Cl2	0.000	0.000	1.470
C3	0.000	1.450	-0.807
C4	1.256	-0.725	-0.807
C5	-1.256	-0.725	-0.807
H6	0.000	1.484	-1.897
H7	1.286	-0.742	-1.897
H8	-1.286	-0.742	-1.897
H9	0.883	1.972	-0.446
H10	-0.883	1.972	-0.446
H11	1.267	-1.751	-0.446
H12	2.150	-0.222	-0.446
H13	-2.150	-0.222	-0.446
H14	-1.267	-1.751	-0.446

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8192	1.5206	1.5206	1.5206	2.1450	2.1450	2.1450	2.1632	2.1632	2.1632	2.1632	2.1632	2.1632
Cl2	1.8192		2.6998	2.6998	2.6998	3.6802	3.6802	3.6802	2.8879	2.8879	2.8879	2.8879	2.8879	2.8879
C3	1.5206	2.6998		2.5113	2.5113	1.0907	2.7652	2.7652	1.0878	1.0878	3.4612	2.7470	2.7470	3.4612
C4	1.5206	2.6998	2.5113		2.5113	2.7652	1.0907	2.7652	2.7470	3.4612	1.0878	1.0878	3.4612	2.7470
C5	1.5206	2.6998	2.5113	2.5113		2.7652	2.7652	1.0907	3.4612	2.7470	2.7470	3.4612	1.0878	1.0878
H6	2.1450	3.6802	1.0907	2.7652	2.7652		2.5712	2.5712	1.7679	1.7679	3.7656	3.1048	3.1048	3.7656
H7	2.1450	3.6802	2.7652	1.0907	2.7652	2.5712		2.5712	3.1048	3.7656	1.7679	1.7679	3.7656	3.1048
H8	2.1450	3.6802	2.7652	2.7652	1.0907	2.5712	2.5712		3.7656	3.1048	3.1048	3.7656	1.7679	1.7679
H9	2.1632	2.8879	1.0878	2.7470	3.4612	1.7679	3.1048	3.7656		1.7657	3.7431	2.5336	3.7431	4.2993
H10	2.1632	2.8879	1.0878	3.4612	2.7470	1.7679	3.7656	3.1048	1.7657		4.2993	3.7431	2.5336	3.7431
H11	2.1632	2.8879	3.4612	1.0878	2.7470	3.7656	1.7679	3.1048	3.7431	4.2993		1.7657	3.7431	2.5336
H12	2.1632	2.8879	2.7470	1.0878	3.4612	3.1048	1.7679	3.7656	2.5336	3.7431	1.7657		4.2993	3.7431
H13	2.1632	2.8879	2.7470	3.4612	1.0878	3.1048	3.7656	1.7679	3.7431	2.5336	3.7431	4.2993		1.7657
H14	2.1632	2.8879	3.4612	2.7470	1.0878	3.7656	3.1048	1.7679	4.2993	3.7431	2.5336	3.7431	1.7657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.357	C1	C3	H9	110.971
C1	C3	H10	110.971	C1	C4	H7	109.357
C1	C4	H11	110.971	C1	C4	H12	110.971
C1	C5	H8	109.357	C1	C5	H13	110.971
C1	C5	H14	110.971	Cl2	C1	C3	107.538
Cl2	C1	C4	107.538	Cl2	C1	C5	107.538
C3	C1	C4	111.333	C3	C1	C5	111.333
C4	C1	C5	111.333	H6	C3	H9	108.485
H6	C3	H10	108.485	H7	C4	H11	108.485
H7	C4	H12	108.485	H8	C5	H13	108.485
H8	C5	H14	108.485	H9	C3	H10	108.500
H11	C4	H12	108.500	H13	C5	H14	108.500

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

using model chemistry: CISD/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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All results from a given calculation for CH3CCl(CH3)CH3 (Propane, 2-chloro-2-methyl-)

using model chemistry: CISD/6-31G*

States and conformations

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