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	hartrees
Energy at 0K	-262.783396
Energy at 298.15K	-262.787610
Nuclear repulsion energy	180.677085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3212	2924	0.00
2	A_g	2593	2360	0.00
3	A_g	1596	1453	0.00
4	A_g	1523	1387	0.00
5	A_g	1099	1001	0.00
6	A_g	1027	935	0.00
7	A_g	560	510	0.00
8	A_g	248	226	0.00
9	A_u	3270	2977	1.83
10	A_u	1316	1198	0.01
11	A_u	832	757	2.63
12	A_u	446	406	1.77
13	A_u	85	77	26.27
14	B_g	3249	2958	0.00
15	B_g	1428	1300	0.00
16	B_g	1139	1037	0.00
17	B_g	407	371	0.00
18	B_u	3220	2931	3.55
19	B_u	2593	2361	25.15
20	B_u	1605	1462	12.78
21	B_u	1408	1282	6.47
22	B_u	969	882	16.41
23	B_u	585	533	0.23
24	B_u	145	132	29.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.426	0.639	0.000
C2	-0.426	-0.639	0.000
C3	-0.426	1.834	0.000
C4	0.426	-1.834	0.000
N5	1.093	-2.741	0.000
N6	-1.093	2.741	0.000
H7	1.062	0.671	0.873
H8	1.062	0.671	-0.873
H9	-1.062	-0.671	0.873
H10	-1.062	-0.671	-0.873

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5354	1.4674	2.4728	3.4453	2.5936	1.0808	1.0808	2.1658	2.1658
C2	1.5354		2.4728	1.4674	2.5936	3.4453	2.1658	2.1658	1.0808	1.0808
C3	1.4674	2.4728		3.7655	4.8207	1.1262	2.0805	2.0805	2.7279	2.7279
C4	2.4728	1.4674	3.7655		1.1262	4.8207	2.7279	2.7279	2.0805	2.0805
N5	3.4453	2.5936	4.8207	1.1262		5.9023	3.5222	3.5222	3.1133	3.1133
N6	2.5936	3.4453	1.1262	4.8207	5.9023		3.1133	3.1133	3.5222	3.5222
H7	1.0808	2.1658	2.0805	2.7279	3.5222	3.1133		1.7460	2.5123	3.0595
H8	1.0808	2.1658	2.0805	2.7279	3.5222	3.1133	1.7460		3.0595	2.5123
H9	2.1658	1.0808	2.7279	2.0805	3.1133	3.5222	2.5123	3.0595		1.7460
H10	2.1658	1.0808	2.7279	2.0805	3.1133	3.5222	3.0595	2.5123	1.7460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.856	C1	C2	H9	110.557
C1	C2	H10	110.557	C1	C3	N6	179.134
C2	C1	C3	110.856	C2	C1	H7	110.557
C2	C1	H8	110.557	C2	C4	N5	179.134
C3	C1	H7	108.510	C3	C1	H8	108.510
C4	C2	H9	108.510	C4	C2	H10	108.510
H7	C1	H8	107.757	H9	C2	H10	107.757

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: HF/aug-cc-pVTZ

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	-0.066
2	C	-0.066
3	C	-0.003
4	C	-0.003
5	N	-0.520
6	N	-0.520
7	H	0.294
8	H	0.294
9	H	0.294
10	H	0.294

	x	y	z
x	7.251	-1.867	0.000
y	-1.867	9.860	0.000
z	0.000	0.000	5.865

<r²>	207.812
(<r²>)^1/2	14.416

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)