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	hartrees
Energy at 0K	-577.828665
Energy at 298.15K	-577.836430
HF Energy	-577.198853
Nuclear repulsion energy	164.981356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3039	25.30
2	A'	3149	3021	39.84
3	A'	3114	2987	5.87
4	A'	3063	2938	20.48
5	A'	1504	1443	5.73
6	A'	1491	1431	6.29
7	A'	1425	1367	3.68
8	A'	1301	1248	33.81
9	A'	1196	1147	12.90
10	A'	1088	1044	10.53
11	A'	922	885	8.32
12	A'	649	623	23.57
13	A'	425	408	1.69
14	A'	341	327	0.99
15	A'	282	271	0.10
16	A"	3163	3035	12.89
17	A"	3143	3015	1.75
18	A"	3059	2935	14.79
19	A"	1485	1424	0.39
20	A"	1481	1421	1.09
21	A"	1418	1360	7.81
22	A"	1367	1311	1.28
23	A"	1169	1122	1.90
24	A"	963	924	0.01
25	A"	940	902	0.70
26	A"	328	315	1.74
27	A"	251	241	0.03

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.892	1.022	0.000
C2	0.571	-0.064	0.000
C3	0.571	-0.906	1.274
C4	0.571	-0.906	-1.274
H5	1.432	0.625	0.000
H6	1.478	-1.538	1.299
H7	1.478	-1.538	-1.299
H8	0.563	-0.266	2.173
H9	0.563	-0.266	-2.173
H10	-0.317	-1.563	1.303
H11	-0.317	-1.563	-1.303

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8215	2.7346	2.7346	2.3575	3.7224	3.7224	2.9147	2.9147	2.9509	2.9509
C2	1.8215		1.5272	1.5272	1.1034	2.1641	2.1641	2.1823	2.1823	2.1749	2.1749
C3	2.7346	1.5272		2.5489	2.1702	1.1063	2.8012	1.1029	3.5063	1.1045	2.8037
C4	2.7346	1.5272	2.5489		2.1702	2.8012	1.1063	3.5063	1.1029	2.8037	1.1045
H5	2.3575	1.1034	2.1702	2.1702		2.5237	2.5237	2.5044	2.5044	3.0891	3.0891
H6	3.7224	2.1641	1.1063	2.8012	2.5237		2.5984	1.7942	3.8094	1.7950	3.1610
H7	3.7224	2.1641	2.8012	1.1063	2.5237	2.5984		3.8094	1.7942	3.1610	1.7950
H8	2.9147	2.1823	1.1029	3.5063	2.5044	1.7942	3.8094		4.3459	1.7922	3.8124
H9	2.9147	2.1823	3.5063	1.1029	2.5044	3.8094	1.7942	4.3459		3.8124	1.7922
H10	2.9509	2.1749	1.1045	2.8037	3.0891	1.7950	3.1610	1.7922	3.8124		2.6054
H11	2.9509	2.1749	2.8037	1.1045	3.0891	3.1610	1.7950	3.8124	1.7922	2.6054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.180	Cl1	C2	C4	109.180
Cl1	C3	H5	56.042	C2	C3	H6	109.487
C2	C3	H8	111.117	C2	C3	H10	110.434
C2	C4	H7	109.487	C2	C4	H9	111.117
C2	C4	H11	110.434	C3	C2	C4	113.127
C3	C2	H5	110.134	C4	C2	H5	110.134
H6	C3	H8	108.614	H6	C3	H10	108.567
H7	C4	H9	108.614	H7	C4	H11	108.567
H8	C3	H10	108.563	H9	C4	H11	108.563

All results from a given calculation for CH₃CHClCH₃ (Propane, 2-chloro-)

using model chemistry: QCISD/cc-pVDZ

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 CH3CHClCH3 (Propane, 2-chloro-)

using model chemistry: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHClCH₃ (Propane, 2-chloro-)