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	hartrees
Energy at 0K	-42.221840
Energy at 298.15K	-42.231612
HF Energy	-41.812483
Nuclear repulsion energy	105.532423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3076	3002	57.75
2	A	2969	2898	36.50
3	A	1535	1498	10.97
4	A	1466	1431	2.14
5	A	1208	1179	61.32
6	A	803	784	11.17
7	A	540	527	28.67
8	A	358	349	3.09
9	A	3090	3016	0.00
10	A	1493	1457	0.00
11	A	991	967	0.00
12	A	208	203	0.00
13	A	3097	3023	39.70
13	A	3097	3023	39.70
14	A	3067	2994	7.92
14	A	3067	2994	7.92
15	A	2963	2891	20.24
15	A	2963	2891	20.24
16	A	1520	1484	6.98
16	A	1520	1484	6.98
17	A	1507	1471	1.42
17	A	1507	1471	1.42
18	A	1440	1406	15.65
18	A	1440	1406	15.65
19	A	1292	1261	10.14
19	A	1292	1261	10.14
20	A	1072	1046	0.00
20	A	1072	1046	0.00
21	A	949	927	0.01
21	A	949	927	0.01
22	A	392	382	0.99
22	A	392	382	0.99
23	A	288	281	1.16
23	A	288	281	1.16
24	A	272	266	0.00
24	A	272	266	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.403
Cl2	0.000	0.000	1.536
C3	0.000	1.490	-0.840
C4	1.290	-0.745	-0.840
C5	-1.290	-0.745	-0.840
H6	0.000	1.540	-1.944
H7	1.334	-0.770	-1.944
H8	-1.334	-0.770	-1.944
H9	0.894	2.008	-0.459
H10	-0.894	2.008	-0.459
H11	1.292	-1.779	-0.459
H12	2.186	-0.229	-0.459
H13	-2.186	-0.229	-0.459
H14	-1.292	-1.779	-0.459

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.9395	1.5522	1.5522	1.5522	2.1787	2.1787	2.1787	2.1988	2.1988	2.1988	2.1988	2.1988	2.1988
Cl2	1.9395		2.8043	2.8043	2.8043	3.8061	3.8061	3.8061	2.9690	2.9690	2.9690	2.9690	2.9690	2.9690
C3	1.5522	2.8043		2.5800	2.5800	1.1058	2.8469	2.8469	1.1014	1.1014	3.5346	2.8068	2.8068	3.5346
C4	1.5522	2.8043	2.5800		2.5800	2.8469	1.1058	2.8469	2.8068	3.5346	1.1014	1.1014	3.5346	2.8068
C5	1.5522	2.8043	2.5800	2.5800		2.8469	2.8469	1.1058	3.5346	2.8068	2.8068	3.5346	1.1014	1.1014
H6	2.1787	3.8061	1.1058	2.8469	2.8469		2.6674	2.6674	1.7954	1.7954	3.8582	3.1803	3.1803	3.8582
H7	2.1787	3.8061	2.8469	1.1058	2.8469	2.6674		2.6674	3.1803	3.8582	1.7954	1.7954	3.8582	3.1803
H8	2.1787	3.8061	2.8469	2.8469	1.1058	2.6674	2.6674		3.8582	3.1803	3.1803	3.8582	1.7954	1.7954
H9	2.1988	2.9690	1.1014	2.8068	3.5346	1.7954	3.1803	3.8582		1.7889	3.8072	2.5833	3.8072	4.3721
H10	2.1988	2.9690	1.1014	3.5346	2.8068	1.7954	3.8582	3.1803	1.7889		4.3721	3.8072	2.5833	3.8072
H11	2.1988	2.9690	3.5346	1.1014	2.8068	3.8582	1.7954	3.1803	3.8072	4.3721		1.7889	3.8072	2.5833
H12	2.1988	2.9690	2.8068	1.1014	3.5346	3.1803	1.7954	3.8582	2.5833	3.8072	1.7889		4.3721	3.8072
H13	2.1988	2.9690	2.8068	3.5346	1.1014	3.1803	3.8582	1.7954	3.8072	2.5833	3.8072	4.3721		1.7889
H14	2.1988	2.9690	3.5346	2.8068	1.1014	3.8582	3.1803	1.7954	4.3721	3.8072	2.5833	3.8072	1.7889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	108.946	C1	C3	H9	110.765
C1	C3	H10	110.765	C1	C4	H7	108.946
C1	C4	H11	110.765	C1	C4	H12	110.765
C1	C5	H8	108.946	C1	C5	H13	110.765
C1	C5	H14	110.765	Cl2	C1	C3	106.331
Cl2	C1	C4	106.331	Cl2	C1	C5	106.331
C3	C1	C4	112.421	C3	C1	C5	112.421
C4	C1	C5	112.421	H6	C3	H9	108.861
H6	C3	H10	108.861	H7	C4	H11	108.861
H7	C4	H12	108.861	H8	C5	H13	108.861
H8	C5	H14	108.861	H9	C3	H10	108.601
H11	C4	H12	108.601	H13	C5	H14	108.601

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

using model chemistry: MP2/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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All results from a given calculation for CH3CCl(CH3)CH3 (Propane, 2-chloro-2-methyl-)

using model chemistry: MP2/CEP-121G

States and conformations

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