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	hartrees
Energy at 0K	-1036.722527
Energy at 298.15K	-1036.729589
HF Energy	-1036.067644
Nuclear repulsion energy	278.215019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3237	3052	2.90
2	A	3222	3038	6.87
3	A	3215	3032	9.52
4	A	3173	2992	5.65
5	A	3161	2981	4.59
6	A	3120	2942	6.08
7	A	1559	1470	8.78
8	A	1553	1465	4.84
9	A	1540	1452	6.83
10	A	1473	1389	12.56
11	A	1426	1344	2.07
12	A	1384	1305	0.77
13	A	1325	1250	20.63
14	A	1272	1199	15.80
15	A	1192	1124	1.36
16	A	1141	1076	4.82
17	A	1078	1016	17.91
18	A	954	899	3.86
19	A	913	861	1.04
20	A	807	761	26.34
21	A	731	690	44.47
22	A	427	402	0.83
23	A	368	347	1.77
24	A	296	279	0.33
25	A	269	253	0.50
26	A	216	203	6.45
27	A	120	113	4.93

Atom	x (Å)	y (Å)	z (Å)
C1	-0.552	-0.680	0.329
Cl2	-2.223	-0.171	-0.077
H3	-0.439	-1.708	-0.014
H4	-0.451	-0.636	1.414
C5	0.448	0.235	-0.346
H6	0.323	0.186	-1.430
Cl7	2.072	-0.488	-0.015
C8	0.421	1.663	0.148
H9	-0.556	2.104	-0.067
H10	0.596	1.698	1.226
H11	1.191	2.253	-0.351

	C1	Cl2	H3	H4	C5	H6	Cl7	C8	H9	H10	H11
C1		1.7936	1.0891	1.0906	1.5146	2.1472	2.6540	2.5439	2.8123	2.7892	3.4796
Cl2	1.7936		2.3557	2.3625	2.7154	2.9052	4.3077	3.2259	2.8206	3.6252	4.1967
H3	1.0891	2.3557		1.7855	2.1609	2.4843	2.7919	3.4826	3.8138	3.7693	4.2964
H4	1.0906	2.3625	1.7855		2.1603	3.0599	2.9039	2.7659	3.1165	2.5652	3.7633
C5	1.5146	2.7154	2.1609	2.1603		1.0914	1.8083	1.5121	2.1403	2.1533	2.1510
H6	2.1472	2.9052	2.4843	3.0599	1.0914		2.3486	2.1633	2.5114	3.0681	2.4876
Cl7	2.6540	4.3077	2.7919	2.9039	1.8083	2.3486		2.7167	3.6916	2.9149	2.8984
C8	2.5439	3.2259	3.4826	2.7659	1.5121	2.1633	2.7167		1.0930	1.0929	1.0914
H9	2.8123	2.8206	3.8138	3.1165	2.1403	2.5114	3.6916	1.0930		1.7789	1.7767
H10	2.7892	3.6252	3.7693	2.5652	2.1533	3.0681	2.9149	1.0929	1.7789		1.7751
H11	3.4796	4.1967	4.2964	3.7633	2.1510	2.4876	2.8984	1.0914	1.7767	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.900	C1	C5	Cl7	105.673
C1	C5	C8	114.383	Cl2	C1	H3	107.056
Cl2	C1	H4	107.478	Cl2	C1	C5	110.042
H3	C1	H4	110.002	H3	C1	C5	111.132
H4	C1	C5	110.987	C5	C8	H9	109.441
C5	C8	H10	110.476	C5	C8	H11	110.375
H6	C5	Cl7	105.502	H6	C5	C8	111.364
Cl7	C5	C8	109.490	H9	C8	H10	108.947
H9	C8	H11	108.852	H10	C8	H11	108.714

All results from a given calculation for CH₂ClCHClCH₃ (Propane, 1,2-dichloro-)

using model chemistry: MP2/6-31G*

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 CH2ClCHClCH3 (Propane, 1,2-dichloro-)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for CH₂ClCHClCH₃ (Propane, 1,2-dichloro-)