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	hartrees
Energy at 0K	-1077.278657
Energy at 298.15K	-1077.270060
HF Energy	-1077.670261
Nuclear repulsion energy	367.003997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3141	3031	0.00
2	A_g	3132	3023	0.00
3	A_g	3092	2984	0.00
4	A_g	3056	2949	0.00
5	A_g	1491	1439	0.00
6	A_g	1491	1439	0.00
7	A_g	1414	1364	0.00
8	A_g	1391	1342	0.00
9	A_g	1272	1227	0.00
10	A_g	1176	1135	0.00
11	A_g	1136	1096	0.00
12	A_g	1028	992	0.00
13	A_g	845	815	0.00
14	A_g	690	666	0.00
15	A_g	474	457	0.00
16	A_g	340	328	0.00
17	A_g	279	269	0.00
18	A_g	230	222	0.00
19	A_u	3142	3032	16.39
20	A_u	3135	3025	27.24
21	A_u	3106	2997	5.04
22	A_u	3055	2948	16.40
23	A_u	1493	1441	13.36
24	A_u	1487	1435	7.74
25	A_u	1414	1364	15.19
26	A_u	1322	1276	4.32
27	A_u	1217	1174	42.83
28	A_u	1092	1053	10.12
29	A_u	1019	984	24.11
30	A_u	975	941	18.23
31	A_u	642	619	87.01
32	A_u	355	342	3.63
33	A_u	332	321	2.84
34	A_u	243	234	3.15
35	A_u	203	196	3.26
36	A_u	67	64	3.14

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.963	1.194	-1.567
Cl2	0.963	-1.194	1.567
C3	-1.882	-0.441	0.407
C4	1.882	0.441	-0.407
C5	-0.657	0.391	0.055
C6	0.657	-0.391	-0.055
H7	-2.777	0.185	0.395
H8	2.777	-0.185	-0.395
H9	1.768	0.872	-1.404
H10	-1.768	-0.872	1.404
H11	-2.019	-1.253	-0.313
H12	2.019	1.253	0.313
H13	0.529	-1.221	-0.753
H14	-0.529	1.221	0.753

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3862	2.7225	3.1640	1.8356	2.7252	2.8557	4.1553	2.7549	3.7067	2.9452	3.5259	2.9529	2.3608
Cl2	4.3862		3.1640	2.7225	2.7252	1.8356	4.1553	2.8557	3.7067	2.7549	3.5259	2.9452	2.3608	2.9529
C3	2.7225	3.1640		3.9506	1.5216	2.5816	1.0917	4.7343	4.2802	1.0922	1.0938	4.2537	2.7867	2.1705
C4	3.1640	2.7225	3.9506		2.5816	1.5216	4.7343	1.0917	1.0922	4.2802	4.2537	1.0938	2.1705	2.7867
C5	1.8356	2.7252	1.5216	2.5816		1.5340	2.1564	3.5112	2.8706	2.1555	2.1660	2.8234	2.1583	1.0918
C6	2.7252	1.8356	2.5816	1.5216	1.5340		3.5112	2.1564	2.1555	2.8706	2.8234	2.1660	1.0918	2.1583
H7	2.8557	4.1553	1.0917	4.7343	2.1564	3.5112		5.6217	4.9354	1.7757	1.7724	4.9140	3.7708	2.5013
H8	4.1553	2.8557	4.7343	1.0917	3.5112	2.1564	5.6217		1.7757	4.9354	4.9140	1.7724	2.5013	3.7708
H9	2.7549	3.7067	4.2802	1.0922	2.8706	2.1555	4.9354	1.7757		4.8393	4.4767	1.7764	2.5171	3.1698
H10	3.7067	2.7549	1.0922	4.2802	2.1555	2.8706	1.7757	4.9354	4.8393		1.7764	4.4767	3.1698	2.5171
H11	2.9452	3.5259	1.0938	4.2537	2.1660	2.8234	1.7724	4.9140	4.4767	1.7764		4.7930	2.5855	3.0782
H12	3.5259	2.9452	4.2537	1.0938	2.8234	2.1660	4.9140	1.7724	1.7764	4.4767	4.7930		3.0782	2.5855
H13	2.9529	2.3608	2.7867	2.1705	2.1583	1.0918	3.7708	2.5013	2.5171	3.1698	2.5855	3.0782		3.0574
H14	2.3608	2.9529	2.1705	2.7867	1.0918	2.1583	2.5013	3.7708	3.1698	2.5171	3.0782	2.5855	3.0574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	108.303	Cl1	C5	C6	107.919
Cl1	C5	H14	105.010	Cl2	C6	C4	108.303
Cl2	C6	C5	107.919	Cl2	C6	H13	105.010
C3	C5	C6	114.976	C3	C5	H14	110.932
C4	C6	C5	114.976	C4	C6	H13	110.932
C5	C3	H7	110.018	C5	C3	H10	110.122
C5	C3	H11	110.719	C5	C6	H13	109.180
C6	C4	H8	110.018	C6	C4	H9	110.122
C6	C4	H12	110.719	C6	C5	H14	109.180
H7	C3	H10	108.766	H7	C3	H11	108.400
H8	C4	H9	108.766	H8	C4	H12	108.400
H9	C4	H12	108.765	H10	C3	H11	108.765

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

using model chemistry: G4

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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Number	Element	Mulliken
1	Cl	-0.203
2	Cl	-0.203
3	C	-0.390
4	C	-0.390
5	C	0.024
6	C	0.024
7	H	0.139
8	H	0.139
9	H	0.154
10	H	0.154
11	H	0.135
12	H	0.135
13	H	0.142
14	H	0.142

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	293.820
(<r²>)^1/2	17.141

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

using model chemistry: G4

States and conformations

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