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	hartrees
Energy at 0K	-56.819157
Energy at 298.15K	-56.828291
HF Energy	-56.003610
Nuclear repulsion energy	134.428689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3060	4.82
2	A	3182	3032	22.86
3	A	3163	3014	36.15
4	A	3145	2996	8.75
5	A	3131	2984	6.75
6	A	3126	2978	4.21
7	A	3079	2934	14.50
8	A	3070	2925	25.98
9	A	1543	1470	9.25
10	A	1535	1462	8.50
11	A	1517	1446	1.94
12	A	1514	1443	6.69
13	A	1450	1382	4.31
14	A	1428	1361	0.49
15	A	1374	1309	5.88
16	A	1351	1288	4.88
17	A	1328	1265	7.85
18	A	1276	1216	16.55
19	A	1234	1175	9.63
20	A	1160	1105	0.73
21	A	1125	1072	1.52
22	A	1092	1040	4.08
23	A	1060	1010	0.94
24	A	965	919	8.02
25	A	863	823	8.08
26	A	828	789	3.04
27	A	780	743	54.73
28	A	695	662	24.35
29	A	467	445	1.99
30	A	393	374	1.24
31	A	303	288	0.01
32	A	240	229	1.60
33	A	225	214	1.56
34	A	187	178	3.72
35	A	121	116	3.69
36	A	84	80	1.13

Atom	x (Å)	y (Å)	z (Å)
H1	-0.838	-0.532	1.496
H2	1.893	1.398	-0.243
H3	1.440	0.641	1.315
C4	1.430	0.529	0.228
H5	0.016	0.163	-1.364
Cl6	-0.836	1.924	-0.029
C7	0.000	0.329	-0.282
C8	-0.770	-0.784	0.430
H9	-2.813	-0.153	-0.023
H10	-2.646	-1.878	0.352
H11	-2.112	-1.261	-1.221
C12	-2.172	-1.029	-0.152
H13	-0.171	-1.698	0.340
Cl14	2.447	-0.904	-0.192

	H1	H2	H3	C4	H5	Cl6	C7	C8	H9	H10	H11	C12	H13	Cl14
H1		3.7684	2.5689	2.8064	3.0638	2.8910	2.1452	1.0976	2.5202	2.5278	3.0879	2.1771	1.7720	3.7119
H2	3.7684		1.7899	1.0911	2.5113	2.7874	2.1737	3.5080	4.9596	5.6289	4.9052	4.7349	3.7659	2.3688
H3	2.5689	1.7899		1.0929	3.0719	2.9391	2.1729	2.7757	4.5293	4.8963	4.7612	4.2414	3.0030	2.3820
C4	2.8064	1.0911	1.0929		2.1609	2.6741	1.5313	2.5706	4.3051	4.7354	4.2248	3.9429	2.7449	1.8070
H5	3.0638	2.5113	3.0719	2.1609		2.3686	1.0952	2.1751	3.1460	3.7672	2.5636	2.7703	2.5298	2.9026
Cl6	2.8910	2.7874	2.9391	2.6741	2.3686		1.8186	2.7483	2.8678	4.2283	3.6322	3.2439	3.7014	4.3371
C7	2.1452	2.1737	2.1729	1.5313	1.0952	1.8186		1.5297	2.8659	3.5036	2.8056	2.5651	2.1272	2.7420
C8	1.0976	3.5080	2.7757	2.5706	2.1751	2.7483	1.5297		2.1854	2.1726	2.1798	1.5367	1.0962	3.2792
H9	2.5202	4.9596	4.5293	4.3051	3.1460	2.8678	2.8659	2.1854		1.7729	1.7758	1.0932	3.0820	5.3163
H10	2.5278	5.6289	4.8963	4.7354	3.7672	4.2283	3.5036	2.1726	1.7729		1.7722	1.0947	2.4817	5.2139
H11	3.0879	4.9052	4.7612	4.2248	2.5636	3.6322	2.8056	2.1798	1.7758	1.7722		1.0961	2.5290	4.6872
C12	2.1771	4.7349	4.2414	3.9429	2.7703	3.2439	2.5651	1.5367	1.0932	1.0947	1.0961		2.1661	4.6208
H13	1.7720	3.7659	3.0030	2.7449	2.5298	3.7014	2.1272	1.0962	3.0820	2.4817	2.5290	2.1661		2.7869
Cl14	3.7119	2.3688	2.3820	1.8070	2.9026	4.3371	2.7420	3.2792	5.3163	5.2139	4.6872	4.6208	2.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C8	C7	108.353	H1	C8	C12	110.354
H1	C8	H13	107.747	H2	C4	H3	110.074
H2	C4	C7	110.860	H2	C4	Cl14	107.042
H3	C4	C7	110.681	H3	C4	Cl14	107.899
C4	C7	H5	109.607	C4	C7	Cl6	105.607
C4	C7	C8	114.243	H5	C7	Cl6	106.080
H5	C7	C8	110.840	Cl6	C7	C8	110.029
C7	C4	Cl14	110.174	C7	C8	C12	113.549
C7	C8	H13	107.055	C8	C12	H9	111.277
C8	C12	H10	110.168	C8	C12	H11	110.657
H9	C12	H10	108.249	H9	C12	H11	108.409
H10	C12	H11	107.980	C12	C8	H13	109.574

All results from a given calculation for C₄H₈Cl₂ (Butane, 1,2-dichloro-)

using model chemistry: MP2/CEP-121G*

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 C4H8Cl2 (Butane, 1,2-dichloro-)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₄H₈Cl₂ (Butane, 1,2-dichloro-)