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	hartrees
Energy at 0K	-1075.928075
Energy at 298.15K	-1075.937334
HF Energy	-1075.101384
Nuclear repulsion energy	360.508880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3237	3049	2.41
2	A	3216	3030	14.07
3	A	3199	3014	23.35
4	A	3171	2988	10.52
5	A	3163	2980	4.46
6	A	3156	2974	0.67
7	A	3114	2934	22.40
8	A	3111	2931	4.60
9	A	1571	1481	8.16
10	A	1563	1472	7.31
11	A	1545	1456	1.23
12	A	1541	1452	8.61
13	A	1475	1390	4.21
14	A	1449	1365	0.42
15	A	1397	1317	3.21
16	A	1379	1299	6.13
17	A	1352	1274	8.67
18	A	1307	1232	13.38
19	A	1258	1186	7.96
20	A	1179	1110	0.84
21	A	1149	1083	1.61
22	A	1115	1051	3.75
23	A	1082	1020	0.66
24	A	988	931	10.23
25	A	883	832	8.46
26	A	850	801	3.09
27	A	800	754	49.42
28	A	711	670	22.52
29	A	478	451	1.82
30	A	403	380	1.01
31	A	309	292	0.04
32	A	251	236	0.85
33	A	231	218	1.89
34	A	196	185	3.43
35	A	126	118	3.61
36	A	98	92	1.23

Atom	x (Å)	y (Å)	z (Å)
H1	0.778	0.965	1.500
H2	-1.175	-1.749	-0.194
H3	-0.970	-0.893	1.351
C4	-1.020	-0.774	0.268
H5	0.167	0.020	-1.336
Cl6	1.557	-1.349	-0.030
C7	0.254	-0.131	-0.256
C8	0.619	1.171	0.435
H9	2.732	1.244	-0.064
H10	2.023	2.812	0.345
H11	1.683	2.073	-1.225
C12	1.838	1.861	-0.162
H13	-0.251	1.831	0.361
Cl14	-2.447	0.228	-0.114

	H1	H2	H3	C4	H5	Cl6	C7	C8	H9	H10	H11	C12	H13	Cl14
H1		3.7488	2.5556	2.7889	3.0509	2.8817	2.1360	1.0960	2.5179	2.5084	3.0768	2.1652	1.7627	3.6815
H2	3.7488		1.7784	1.0896	2.4975	2.7666	2.1596	3.4840	4.9235	5.5962	4.8823	4.7025	3.7383	2.3516
H3	2.5556	1.7784		1.0911	3.0573	2.9158	2.1592	2.7604	4.5023	4.8674	4.7397	4.2140	2.9857	2.3633
C4	2.7889	1.0896	1.0911		2.1475	2.6571	1.5199	2.5486	4.2729	4.7035	4.1996	3.9110	2.7175	1.7852
H5	3.0509	2.4975	3.0573	2.1475		2.3485	1.0933	2.1596	3.1133	3.7495	2.5538	2.7489	2.5161	2.8929
Cl6	2.8817	2.7666	2.9158	2.6571	2.3485		1.7989	2.7290	2.8469	4.2036	3.6269	3.2257	3.6792	4.3045
C7	2.1360	2.1596	2.1592	1.5199	1.0933	1.7989		1.5185	2.8406	3.4857	2.7992	2.5470	2.1175	2.7280
C8	1.0960	3.4840	2.7604	2.5486	2.1596	2.7290	1.5185		2.1727	2.1617	2.1682	1.5231	1.0947	3.2543
H9	2.5179	4.9235	4.5023	4.2729	3.1133	2.8469	2.8406	2.1727		1.7686	1.7707	1.0915	3.0702	5.2780
H10	2.5084	5.5962	4.8674	4.7035	3.7495	4.2036	3.4857	2.1617	1.7686		1.7674	1.0928	2.4770	5.1835
H11	3.0768	4.8823	4.7397	4.1996	2.5538	3.6269	2.7992	2.1682	1.7707	1.7674		1.0940	2.5126	4.6576
C12	2.1652	4.7025	4.2140	3.9110	2.7489	3.2257	2.5470	1.5231	1.0915	1.0928	1.0940		2.1537	4.5858
H13	1.7627	3.7383	2.9857	2.7175	2.5161	3.6792	2.1175	1.0947	3.0702	2.4770	2.5126	2.1537		2.7597
Cl14	3.6815	2.3516	2.3633	1.7852	2.8929	4.3045	2.7280	3.2543	5.2780	5.1835	4.6576	4.5858	2.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C8	C7	108.487	H1	C8	C12	110.460
H1	C8	H13	107.149	H2	C4	H3	109.275
H2	C4	C7	110.625	H2	C4	Cl14	107.287
H3	C4	C7	110.496	H3	C4	Cl14	108.059
C4	C7	H5	109.444	C4	C7	Cl6	106.074
C4	C7	C8	114.027	H5	C7	Cl6	105.996
H5	C7	C8	110.497	Cl6	C7	C8	110.413
C7	C4	Cl14	111.000	C7	C8	C12	113.729
C7	C8	H13	107.133	C8	C12	H9	111.325
C8	C12	H10	110.371	C8	C12	H11	110.819
H9	C12	H10	108.131	H9	C12	H11	108.230
H10	C12	H11	107.846	C12	C8	H13	109.626

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

using model chemistry: MP2=FULL/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 C4H8Cl2 (Butane, 1,2-dichloro-)

using model chemistry: MP2=FULL/6-31G*

States and conformations

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