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	hartrees
Energy at 0K	-616.536897
Energy at 298.15K	-616.546674
HF Energy	-616.129008
Nuclear repulsion energy	234.518023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3125	3016	56.97
2	A	3021	2916	34.00
3	A	1549	1496	17.82
4	A	1473	1422	2.03
5	A	1225	1182	66.53
6	A	810	782	8.41
7	A	548	529	20.89
8	A	365	352	4.11
9	A	3138	3029	0.00
10	A	1512	1459	0.00
11	A	1003	968	0.00
12	A	209	202	0.00
13	A	3145	3036	38.74
13	A	3145	3036	38.74
14	A	3117	3009	8.88
14	A	3117	3009	8.88
15	A	3017	2912	21.08
15	A	3017	2912	21.08
16	A	1534	1480	9.09
16	A	1534	1480	9.09
17	A	1525	1473	1.65
17	A	1525	1473	1.65
18	A	1448	1398	16.17
18	A	1448	1398	16.17
19	A	1297	1252	14.61
19	A	1297	1252	14.61
20	A	1079	1042	0.03
20	A	1079	1042	0.03
21	A	958	925	0.14
21	A	958	925	0.14
22	A	402	388	0.46
22	A	402	388	0.46
23	A	292	282	0.96
23	A	292	282	0.96
24	A	277	267	0.06
24	A	277	267	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.402
Cl2	0.000	0.000	1.539
C3	0.000	1.487	-0.841
C4	1.287	-0.743	-0.841
C5	-1.287	-0.743	-0.841
H6	0.000	1.540	-1.947
H7	1.334	-0.770	-1.947
H8	-1.334	-0.770	-1.947
H9	0.896	2.006	-0.460
H10	-0.896	2.006	-0.460
H11	1.289	-1.779	-0.460
H12	2.185	-0.227	-0.460
H13	-2.185	-0.227	-0.460
H14	-1.289	-1.779	-0.460

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.9410	1.5499	1.5499	1.5499	2.1811	2.1811	2.1811	2.1978	2.1978	2.1978	2.1978	2.1978	2.1978
Cl2	1.9410		2.8058	2.8058	2.8058	3.8106	3.8106	3.8106	2.9704	2.9704	2.9704	2.9704	2.9704	2.9704
C3	1.5499	2.8058		2.5748	2.5748	1.1073	2.8449	2.8449	1.1034	1.1034	3.5314	2.8029	2.8029	3.5314
C4	1.5499	2.8058	2.5748		2.5748	2.8449	1.1073	2.8449	2.8029	3.5314	1.1034	1.1034	3.5314	2.8029
C5	1.5499	2.8058	2.5748	2.5748		2.8449	2.8449	1.1073	3.5314	2.8029	2.8029	3.5314	1.1034	1.1034
H6	2.1811	3.8106	1.1073	2.8449	2.8449		2.6672	2.6672	1.7972	1.7972	3.8584	3.1792	3.1792	3.8584
H7	2.1811	3.8106	2.8449	1.1073	2.8449	2.6672		2.6672	3.1792	3.8584	1.7972	1.7972	3.8584	3.1792
H8	2.1811	3.8106	2.8449	2.8449	1.1073	2.6672	2.6672		3.8584	3.1792	3.1792	3.8584	1.7972	1.7972
H9	2.1978	2.9704	1.1034	2.8029	3.5314	1.7972	3.1792	3.8584		1.7920	3.8053	2.5785	3.8053	4.3705
H10	2.1978	2.9704	1.1034	3.5314	2.8029	1.7972	3.8584	3.1792	1.7920		4.3705	3.8053	2.5785	3.8053
H11	2.1978	2.9704	3.5314	1.1034	2.8029	3.8584	1.7972	3.1792	3.8053	4.3705		1.7920	3.8053	2.5785
H12	2.1978	2.9704	2.8029	1.1034	3.5314	3.1792	1.7972	3.8584	2.5785	3.8053	1.7920		4.3705	3.8053
H13	2.1978	2.9704	2.8029	3.5314	1.1034	3.1792	3.8584	1.7972	3.8053	2.5785	3.8053	4.3705		1.7920
H14	2.1978	2.9704	3.5314	2.8029	1.1034	3.8584	3.1792	1.7972	4.3705	3.8053	2.5785	3.8053	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.199	C1	C3	H9	110.728
C1	C3	H10	110.728	C1	C4	H7	109.199
C1	C4	H11	110.728	C1	C4	H12	110.728
C1	C5	H8	109.199	C1	C5	H13	110.728
C1	C5	H14	110.728	Cl2	C1	C3	106.437
Cl2	C1	C4	106.437	Cl2	C1	C5	106.437
C3	C1	C4	112.327	C3	C1	C5	112.327
C4	C1	C5	112.327	H6	C3	H9	108.771
H6	C3	H10	108.771	H7	C4	H11	108.771
H7	C4	H12	108.771	H8	C5	H13	108.771
H8	C5	H14	108.771	H9	C3	H10	108.596
H11	C4	H12	108.596	H13	C5	H14	108.596

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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