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	hartrees
Energy at 0K	-1075.923900
Energy at 298.15K	-1075.933088
HF Energy	-1075.102036
Nuclear repulsion energy	328.043409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3151	2969	0.00
2	A_g	3108	2929	0.00
3	A_g	1556	1466	0.00
4	A_g	1552	1462	0.00
5	A_g	1452	1368	0.00
6	A_g	1359	1280	0.00
7	A_g	1131	1066	0.00
8	A_g	1086	1023	0.00
9	A_g	817	770	0.00
10	A_g	343	324	0.00
11	A_g	231	218	0.00
12	A_u	3220	3034	22.51
13	A_u	3174	2991	14.23
14	A_u	1368	1289	2.43
15	A_u	1185	1116	1.89
16	A_u	939	885	0.74
17	A_u	768	724	4.47
18	A_u	110	103	1.18
19	A_u	64	61	5.15
20	B_g	3218	3032	0.00
21	B_g	3158	2975	0.00
22	B_g	1369	1290	0.00
23	B_g	1314	1238	0.00
24	B_g	1134	1069	0.00
25	B_g	809	762	0.00
26	B_g	163	154	0.00
27	B_u	3152	2969	37.76
28	B_u	3116	2936	14.26
29	B_u	1570	1479	7.65
30	B_u	1548	1459	1.97
31	B_u	1415	1334	67.84
32	B_u	1282	1208	4.81
33	B_u	1084	1021	16.01
34	B_u	792	746	60.96
35	B_u	437	412	11.11
36	B_u	106	100	4.75

Atom	x (Å)	y (Å)	z (Å)
Cl1	1.430	-3.094	0.000
Cl2	-1.430	3.094	0.000
C3	-1.416	1.307	0.000
C4	1.416	-1.307	0.000
C5	0.000	0.764	0.000
C6	0.000	-0.764	0.000
H7	-1.963	0.981	0.887
H8	-1.963	0.981	-0.887
H9	1.963	-0.981	-0.887
H10	1.963	-0.981	0.887
H11	0.530	1.142	-0.881
H12	-0.530	-1.142	-0.881
H13	-0.530	-1.142	0.881
H14	0.530	1.142	0.881

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		6.8165	5.2407	1.7869	4.1140	2.7339	5.3763	5.3763	2.3518	2.3518	4.4193	2.9026	2.9026	4.4193
Cl2	6.8165		1.7869	5.2407	2.7339	4.1140	2.3518	2.3518	5.3763	5.3763	2.9026	4.4193	4.4193	2.9026
C3	5.2407	1.7869		3.8537	1.5166	2.5084	1.0913	1.0913	4.1759	4.1759	2.1421	2.7495	2.7495	2.1421
C4	1.7869	5.2407	3.8537		2.5084	1.5166	4.1759	4.1759	1.0913	1.0913	2.7495	2.1421	2.1421	2.7495
C5	4.1140	2.7339	1.5166	2.5084		1.5275	2.1647	2.1647	2.7720	2.7720	1.0953	2.1656	2.1656	1.0953
C6	2.7339	4.1140	2.5084	1.5166	1.5275		2.7720	2.7720	2.1647	2.1647	2.1656	1.0953	1.0953	2.1656
H7	5.3763	2.3518	1.0913	4.1759	2.1647	2.7720		1.7732	4.7336	4.3889	3.0598	3.1124	2.5620	2.4978
H8	5.3763	2.3518	1.0913	4.1759	2.1647	2.7720	1.7732		4.3889	4.7336	2.4978	2.5620	3.1124	3.0598
H9	2.3518	5.3763	4.1759	1.0913	2.7720	2.1647	4.7336	4.3889		1.7732	2.5620	2.4978	3.0598	3.1124
H10	2.3518	5.3763	4.1759	1.0913	2.7720	2.1647	4.3889	4.7336	1.7732		3.1124	3.0598	2.4978	2.5620
H11	4.4193	2.9026	2.1421	2.7495	1.0953	2.1656	3.0598	2.4978	2.5620	3.1124		2.5186	3.0734	1.7614
H12	2.9026	4.4193	2.7495	2.1421	2.1656	1.0953	3.1124	2.5620	2.4978	3.0598	2.5186		1.7614	3.0734
H13	2.9026	4.4193	2.7495	2.1421	2.1656	1.0953	2.5620	3.1124	3.0598	2.4978	3.0734	1.7614		2.5186
H14	4.4193	2.9026	2.1421	2.7495	1.0953	2.1656	2.4978	3.0598	3.1124	2.5620	1.7614	3.0734	2.5186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C4	C6	111.441	Cl1	C4	H9	107.107
Cl1	C4	H10	107.107	Cl2	C3	C5	111.441
Cl2	C3	H7	107.107	Cl2	C3	H8	107.107
C3	C5	C6	110.979	C3	C5	H11	109.137
C3	C5	H14	109.137	C4	C6	C5	110.979
C4	C6	H12	109.137	C4	C6	H13	109.137
C5	C3	H7	111.165	C5	C3	H8	111.165
C5	C6	H12	110.226	C5	C6	H13	110.226
C6	C4	H9	111.165	C6	C4	H10	111.165
C6	C5	H11	110.226	C6	C5	H14	110.226
H7	C3	H8	108.668	H9	C4	H10	108.668
H11	C5	H14	107.041	H12	C6	H13	107.041

All results from a given calculation for C₄H₈Cl₂ (1,4-Dichlorobutane)

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 (1,4-Dichlorobutane)

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

States and conformations

All results from a given calculation for C₄H₈Cl₂ (1,4-Dichlorobutane)