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	hartrees
Energy at 0K	-1076.007291
Energy at 298.15K	-1076.016441
HF Energy	-1075.157597
Nuclear repulsion energy	368.721228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3214	3061	0.00
2	A_g	3200	3048	0.00
3	A_g	3124	2976	0.00
4	A_g	3098	2951	0.00
5	A_g	1491	1421	0.00
6	A_g	1488	1418	0.00
7	A_g	1411	1344	0.00
8	A_g	1390	1324	0.00
9	A_g	1288	1226	0.00
10	A_g	1194	1137	0.00
11	A_g	1162	1107	0.00
12	A_g	1043	993	0.00
13	A_g	877	836	0.00
14	A_g	735	700	0.00
15	A_g	485	461	0.00
16	A_g	355	338	0.00
17	A_g	294	280	0.00
18	A_g	241	229	0.00
19	A_u	3214	3062	10.65
20	A_u	3201	3049	21.02
21	A_u	3138	2989	12.57
22	A_u	3097	2950	18.45
23	A_u	1492	1421	18.35
24	A_u	1485	1415	7.21
25	A_u	1407	1340	15.21
26	A_u	1319	1257	5.49
27	A_u	1229	1171	32.49
28	A_u	1110	1058	4.64
29	A_u	1037	988	33.35
30	A_u	981	934	8.38
31	A_u	703	670	53.82
32	A_u	366	348	2.59
33	A_u	337	321	2.01
34	A_u	258	246	2.94
35	A_u	207	197	2.45
36	A_u	68	65	2.53

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.953	1.181	-1.557
Cl2	0.953	-1.181	1.557
C3	-1.876	-0.439	0.408
C4	1.876	0.439	-0.408
C5	-0.655	0.397	0.050
C6	0.655	-0.397	-0.050
H7	-2.780	0.188	0.390
H8	2.780	-0.188	-0.390
H9	1.762	0.871	-1.413
H10	-1.762	-0.871	1.413
H11	-2.005	-1.257	-0.320
H12	2.005	1.257	0.320
H13	0.516	-1.223	-0.768
H14	-0.516	1.223	0.768

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3484	2.7090	3.1426	1.8121	2.7108	2.8482	4.1443	2.7364	3.6995	2.9286	3.5039	2.9265	2.3653
Cl2	4.3484		3.1426	2.7090	2.7108	1.8121	4.1443	2.8482	3.6995	2.7364	3.5039	2.9286	2.3653	2.9265
C3	2.7090	3.1426		3.9396	1.5233	2.5725	1.1005	4.7310	4.2744	1.1000	1.1024	4.2362	2.7790	2.1777
C4	3.1426	2.7090	3.9396		2.5725	1.5233	4.7310	1.1005	1.1000	4.2744	4.2362	1.1024	2.1777	2.7790
C5	1.8121	2.7108	1.5233	2.5725		1.5346	2.1626	3.5120	2.8643	2.1665	2.1664	2.8079	2.1598	1.1033
C6	2.7108	1.8121	2.5725	1.5233	1.5346		3.5120	2.1626	2.1665	2.8643	2.8079	2.1664	1.1033	2.1598
H7	2.8482	4.1443	1.1005	4.7310	2.1626	3.5120		5.6273	4.9342	1.7907	1.7871	4.9030	3.7683	2.5175
H8	4.1443	2.8482	4.7310	1.1005	3.5120	2.1626	5.6273		1.7907	4.9342	4.9030	1.7871	2.5175	3.7683
H9	2.7364	3.6995	4.2744	1.1000	2.8643	2.1665	4.9342	1.7907		4.8415	4.4617	1.7926	2.5206	3.1736
H10	3.6995	2.7364	1.1000	4.2744	2.1665	2.8643	1.7907	4.9342	4.8415		1.7926	4.4617	3.1736	2.5206
H11	2.9286	3.5039	1.1024	4.2362	2.1664	2.8079	1.7871	4.9030	4.4617	1.7926		4.7750	2.5607	3.0899
H12	3.5039	2.9286	4.2362	1.1024	2.8079	2.1664	4.9030	1.7871	1.7926	4.4617	4.7750		3.0899	2.5607
H13	2.9265	2.3653	2.7790	2.1777	2.1598	1.1033	3.7683	2.5175	2.5206	3.1736	2.5607	3.0899		3.0674
H14	2.3653	2.9265	2.1777	2.7790	1.1033	2.1598	2.5175	3.7683	3.1736	2.5206	3.0899	2.5607	3.0674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	108.312	Cl1	C5	C6	107.901
Cl1	C5	H14	105.870	Cl2	C6	C4	108.312
Cl2	C6	C5	107.901	Cl2	C6	H13	105.870
C3	C5	C6	114.543	C3	C5	H14	110.995
C4	C6	C5	114.543	C4	C6	H13	110.995
C5	C3	H7	109.976	C5	C3	H10	110.310
C5	C3	H11	110.167	C5	C6	H13	108.817
C6	C4	H8	109.976	C6	C4	H9	110.310
C6	C4	H12	110.167	C6	C5	H14	108.817
H7	C3	H10	108.938	H7	C3	H11	108.439
H8	C4	H9	108.938	H8	C4	H12	108.439
H9	C4	H12	108.970	H10	C3	H11	108.970

All results from a given calculation for C₄H₈Cl₂ (Butane, 2,3-dichloro-, (r,s)-)

using model chemistry: MP2/cc-pVDZ

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, 2,3-dichloro-, (r*,s*)-)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈Cl₂ (Butane, 2,3-dichloro-, (r,s)-)