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	hartrees
Energy at 0K	-146.798497
Energy at 298.15K	-146.805296
HF Energy	-146.465774
Nuclear repulsion energy	141.962594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3213	3094	10.19
2	A	3158	3042	29.99
3	A	3149	3033	14.35
4	A	3138	3023	3.73
5	A	3118	3003	12.69
6	A	3036	2924	15.55
7	A	1536	1479	11.65
8	A	1532	1476	6.98
9	A	1513	1458	6.03
10	A	1466	1412	12.79
11	A	1412	1360	1.51
12	A	1359	1309	3.53
13	A	1295	1247	13.01
14	A	1245	1199	18.86
15	A	1173	1130	2.69
16	A	1102	1061	4.68
17	A	1061	1022	13.49
18	A	941	906	3.39
19	A	885	853	2.13
20	A	709	683	10.84
21	A	640	616	48.41
22	A	412	397	0.76
23	A	341	328	2.84
24	A	270	260	0.27
25	A	247	238	0.37
26	A	198	190	8.60
27	A	103	99	6.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.555	-0.690	0.362
Cl2	-2.327	-0.184	-0.086
H3	-0.450	-1.728	0.024
H4	-0.479	-0.616	1.455
C5	0.442	0.250	-0.348
H6	0.323	0.189	-1.440
Cl7	2.171	-0.503	-0.023
C8	0.438	1.711	0.151
H9	-0.546	2.169	-0.053
H10	0.633	1.752	1.237
H11	1.215	2.295	-0.367

	C1	Cl2	H3	H4	C5	H6	Cl7	C8	H9	H10	H11
C1		1.8964	1.0974	1.0988	1.5428	2.1880	2.7595	2.6064	2.8884	2.8526	3.5460
Cl2	1.8964		2.4330	2.4449	2.8153	2.9991	4.5103	3.3604	2.9513	3.7763	4.3330
H3	1.0974	2.4330		1.8131	2.2019	2.5331	2.8941	3.5548	3.8993	3.8414	4.3723
H4	1.0988	2.4449	1.8131		2.2022	3.1099	3.0366	2.8206	3.1676	2.6248	3.8297
C5	1.5428	2.8153	2.2019	2.2022		1.0998	1.9140	1.5445	2.1787	2.1919	2.1868
H6	2.1880	2.9991	2.5331	3.1099	1.0998		2.4299	2.2050	2.5688	3.1149	2.5264
Cl7	2.7595	4.5103	2.8941	3.0366	1.9140	2.4299		2.8181	3.8114	3.0063	2.9776
C8	2.6064	3.3604	3.5548	2.8206	1.5445	2.2050	2.8181		1.1038	1.1038	1.1022
H9	2.8884	2.9513	3.8993	3.1676	2.1787	2.5688	3.8114	1.1038		1.7967	1.7936
H10	2.8526	3.7763	3.8414	2.6248	2.1919	3.1149	3.0063	1.1038	1.7967		1.7910
H11	3.5460	4.3330	4.3723	3.8297	2.1868	2.5264	2.9776	1.1022	1.7936	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.664	C1	C5	Cl7	105.429
C1	C5	C8	115.180	Cl2	C1	H3	105.593
Cl2	C1	H4	106.360	Cl2	C1	C5	109.457
H3	C1	H4	111.294	H3	C1	C5	111.915
H4	C1	C5	111.860	C5	C8	H9	109.581
C5	C8	H10	110.614	C5	C8	H11	110.311
H6	C5	Cl7	104.178	H6	C5	C8	111.898
Cl7	C5	C8	108.669	H9	C8	H10	108.949
H9	C8	H11	108.787	H10	C8	H11	108.558

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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