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	hartrees
Energy at 0K	-263.973154
Energy at 298.15K	-263.976918
HF Energy	-263.973154
Nuclear repulsion energy	177.583535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3002	2952	0.00
2	A_g	2289	2251	0.00
3	A_g	1445	1421	0.00
4	A_g	1344	1322	0.00
5	A_g	1008	991	0.00
6	A_g	954	939	0.00
7	A_g	504	495	0.00
8	A_g	215	212	0.00
9	A_u	3059	3009	0.59
10	A_u	1180	1161	0.24
11	A_u	754	741	4.43
12	A_u	397	390	0.00
13	A_u	77	76	19.34
14	B_g	3041	2991	0.00
15	B_g	1283	1262	0.00
16	B_g	1009	992	0.00
17	B_g	356	351	0.00
18	B_u	3011	2962	3.01
19	B_u	2291	2253	6.95
20	B_u	1451	1427	15.44
21	B_u	1257	1236	1.58
22	B_u	930	914	2.19
23	B_u	514	505	2.11
24	B_u	126	124	20.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.426	0.648	0.000
C2	-0.426	-0.648	0.000
C3	-0.426	1.844	0.000
C4	0.426	-1.844	0.000
N5	1.122	-2.784	0.000
N6	-1.122	2.784	0.000
H7	1.079	0.675	0.888
H8	1.079	0.675	-0.888
H9	-1.079	-0.675	0.888
H10	-1.079	-0.675	-0.888

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5513	1.4688	2.4923	3.5016	2.6379	1.1024	1.1024	2.1918	2.1918
C2	1.5513		2.4923	1.4688	2.6379	3.5016	2.1918	2.1918	1.1024	1.1024
C3	1.4688	2.4923		3.7857	4.8801	1.1692	2.1025	2.1025	2.7498	2.7498
C4	2.4923	1.4688	3.7857		1.1692	4.8801	2.7498	2.7498	2.1025	2.1025
N5	3.5016	2.6379	4.8801	1.1692		6.0027	3.5712	3.5712	3.1747	3.1747
N6	2.6379	3.5016	1.1692	4.8801	6.0027		3.1747	3.1747	3.5712	3.5712
H7	1.1024	2.1918	2.1025	2.7498	3.5712	3.1747		1.7764	2.5448	3.1035
H8	1.1024	2.1918	2.1025	2.7498	3.5712	3.1747	1.7764		3.1035	2.5448
H9	2.1918	1.1024	2.7498	2.1025	3.1747	3.5712	2.5448	3.1035		1.7764
H10	2.1918	1.1024	2.7498	2.1025	3.1747	3.5712	3.1035	2.5448	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.193	C1	C2	H9	110.221
C1	C2	H10	110.221	C1	C3	N6	178.941
C2	C1	C3	111.193	C2	C1	H7	110.221
C2	C1	H8	110.221	C2	C4	N5	178.941
C3	C1	H7	108.875	C3	C1	H8	108.875
C4	C2	H9	108.875	C4	C2	H10	108.875
H7	C1	H8	107.357	H9	C2	H10	107.357

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: PBEPBEultrafine/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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Number	Element	Mulliken
1	C	-0.389
2	C	-0.389
3	C	0.370
4	C	0.370
5	N	-0.449
6	N	-0.449
7	H	0.234
8	H	0.234
9	H	0.234
10	H	0.234

	x	y	z
x	6.531	-2.542	0.000
y	-2.542	9.654	0.000
z	0.000	0.000	4.711

<r²>	211.750
(<r²>)^1/2	14.552

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)