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	hartrees
Energy at 0K	-618.028115
Energy at 298.15K
Nuclear repulsion energy	237.772391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3023	3014	35.50
2	A	2962	2954	41.01
3	A	1481	1477	5.66
4	A	1397	1393	1.11
5	A	1141	1137	60.91
6	A	766	764	11.02
7	A	522	520	30.26
8	A	352	351	8.89
9	A	3040	3031	0.00
10	A	1437	1432	0.00
11	A	953	950	0.00
12	A	227	226	0.00
13	A	3045	3036	28.86
13	A	3045	3036	28.84
14	A	3016	3007	7.21
14	A	3016	3007	7.21
15	A	2953	2944	12.38
15	A	2953	2944	12.38
16	A	1463	1458	6.23
16	A	1463	1458	6.23
17	A	1453	1448	0.04
17	A	1453	1448	0.04
18	A	1369	1365	10.18
18	A	1369	1365	10.18
19	A	1215	1212	9.45
19	A	1215	1212	9.45
20	A	1021	1018	0.00
20	A	1021	1018	0.00
21	A	898	896	0.05
21	A	898	896	0.05
22	A	395	394	0.49
22	A	395	394	0.49
23	A	288	287	0.87
23	A	288	287	0.87
24	A	270	269	0.07
24	A	270	269	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.384
Cl2	0.000	0.000	1.509
C3	0.000	1.469	-0.824
C4	1.272	-0.734	-0.824
C5	-1.272	-0.734	-0.824
H6	0.000	1.519	-1.923
H7	1.315	-0.759	-1.923
H8	-1.315	-0.759	-1.923
H9	0.889	1.992	-0.457
H10	-0.889	1.992	-0.457
H11	1.281	-1.766	-0.457
H12	2.170	-0.226	-0.457
H13	-2.170	-0.226	-0.457
H14	-1.281	-1.766	-0.457

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8931	1.5334	1.5334	1.5334	2.1620	2.1620	2.1620	2.1826	2.1826	2.1826	2.1826	2.1826	2.1826
Cl2	1.8931		2.7573	2.7573	2.7573	3.7529	3.7529	3.7529	2.9364	2.9364	2.9364	2.9364	2.9364	2.9364
C3	1.5334	2.7573		2.5440	2.5440	1.0995	2.8109	2.8109	1.0950	1.0950	3.4983	2.7778	2.7778	3.4983
C4	1.5334	2.7573	2.5440		2.5440	2.8109	1.0995	2.8109	2.7778	3.4983	1.0950	1.0950	3.4983	2.7778
C5	1.5334	2.7573	2.5440	2.5440		2.8109	2.8109	1.0995	3.4983	2.7778	2.7778	3.4983	1.0950	1.0950
H6	2.1620	3.7529	1.0995	2.8109	2.8109		2.6305	2.6305	1.7787	1.7787	3.8181	3.1468	3.1468	3.8181
H7	2.1620	3.7529	2.8109	1.0995	2.8109	2.6305		2.6305	3.1468	3.8181	1.7787	1.7787	3.8181	3.1468
H8	2.1620	3.7529	2.8109	2.8109	1.0995	2.6305	2.6305		3.8181	3.1468	3.1468	3.8181	1.7787	1.7787
H9	2.1826	2.9364	1.0950	2.7778	3.4983	1.7787	3.1468	3.8181		1.7775	3.7782	2.5617	3.7782	4.3392
H10	2.1826	2.9364	1.0950	3.4983	2.7778	1.7787	3.8181	3.1468	1.7775		4.3392	3.7782	2.5617	3.7782
H11	2.1826	2.9364	3.4983	1.0950	2.7778	3.8181	1.7787	3.1468	3.7782	4.3392		1.7775	3.7782	2.5617
H12	2.1826	2.9364	2.7778	1.0950	3.4983	3.1468	1.7787	3.8181	2.5617	3.7782	1.7775		4.3392	3.7782
H13	2.1826	2.9364	2.7778	3.4983	1.0950	3.1468	3.8181	1.7787	3.7782	2.5617	3.7782	4.3392		1.7775
H14	2.1826	2.9364	3.4983	2.7778	1.0950	3.8181	3.1468	1.7787	4.3392	3.7782	2.5617	3.7782	1.7775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.291	C1	C3	H9	111.182
C1	C3	H10	111.182	C1	C4	H7	109.291
C1	C4	H11	111.182	C1	C4	H12	111.182
C1	C5	H8	109.291	C1	C5	H13	111.182
C1	C5	H14	111.182	Cl2	C1	C3	106.689
Cl2	C1	C4	106.689	Cl2	C1	C5	106.689
C3	C1	C4	112.104	C3	C1	C5	112.104
C4	C1	C5	112.104	H6	C3	H9	108.292
H6	C3	H10	108.292	H7	C4	H11	108.292
H7	C4	H12	108.292	H8	C5	H13	108.292
H8	C5	H14	108.292	H9	C3	H10	108.513
H11	C4	H12	108.513	H13	C5	H14	108.513

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

using model chemistry: BLYP/cc-pVTZ

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	0.127
2	Cl	-0.224
3	C	-0.244
4	C	-0.244
5	C	-0.244
6	H	0.082
7	H	0.082
8	H	0.082
9	H	0.097
10	H	0.097
11	H	0.097
12	H	0.097
13	H	0.097
14	H	0.097

<r²>	163.790
(<r²>)^1/2	12.798

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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