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	hartrees
Energy at 0K	-264.246746
Energy at 298.15K	-264.250444
Nuclear repulsion energy	176.974339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2984	2978	0.00
2	A_g	2245	2241	0.00
3	A_g	1408	1405	0.00
4	A_g	1311	1308	0.00
5	A_g	976	975	0.00
6	A_g	934	932	0.00
7	A_g	490	489	0.00
8	A_g	212	212	0.00
9	A_u	3038	3032	1.03
10	A_u	1159	1157	0.01
11	A_u	741	739	2.14
12	A_u	371	370	0.04
13	A_u	73	73	21.65
14	B_g	3020	3014	0.00
15	B_g	1260	1258	0.00
16	B_g	992	990	0.00
17	B_g	338	337	0.00
18	B_u	2993	2988	3.37
19	B_u	2247	2243	8.06
20	B_u	1416	1413	13.53
21	B_u	1231	1229	3.52
22	B_u	904	902	2.83
23	B_u	500	499	1.71
24	B_u	126	126	22.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.427	0.655	0.000
C2	-0.427	-0.655	0.000
C3	-0.427	1.854	0.000
C4	0.427	-1.854	0.000
N5	1.126	-2.796	0.000
N6	-1.126	2.796	0.000
H7	1.081	0.678	0.890
H8	1.081	0.678	-0.890
H9	-1.081	-0.678	0.890
H10	-1.081	-0.678	-0.890

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5643	1.4720	2.5090	3.5209	2.6445	1.1051	1.1051	2.2016	2.2016
C2	1.5643		2.5090	1.4720	2.6445	3.5209	2.2016	2.2016	1.1051	1.1051
C3	1.4720	2.5090		3.8049	4.9021	1.1726	2.1095	2.1095	2.7628	2.7628
C4	2.5090	1.4720	3.8049		1.1726	4.9021	2.7628	2.7628	2.1095	2.1095
N5	3.5209	2.6445	4.9021	1.1726		6.0277	3.5867	3.5867	3.1854	3.1854
N6	2.6445	3.5209	1.1726	4.9021	6.0277		3.1854	3.1854	3.5867	3.5867
H7	1.1051	2.2016	2.1095	2.7628	3.5867	3.1854		1.7807	2.5531	3.1127
H8	1.1051	2.2016	2.1095	2.7628	3.5867	3.1854	1.7807		3.1127	2.5531
H9	2.2016	1.1051	2.7628	2.1095	3.1854	3.5867	2.5531	3.1127		1.7807
H10	2.2016	1.1051	2.7628	2.1095	3.1854	3.5867	3.1127	2.5531	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.412	C1	C2	H9	109.934
C1	C2	H10	109.934	C1	C3	N6	178.919
C2	C1	C3	111.412	C2	C1	H7	109.934
C2	C1	H8	109.934	C2	C4	N5	178.919
C3	C1	H7	109.055	C3	C1	H8	109.055
C4	C2	H9	109.055	C4	C2	H10	109.055
H7	C1	H8	107.354	H9	C2	H10	107.354

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: BLYP/aug-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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Number	Element	Mulliken
1	C	1.114
2	C	1.114
3	C	-0.154
4	C	-0.154
5	N	-0.170
6	N	-0.170
7	H	-0.395
8	H	-0.395
9	H	-0.395
10	H	-0.395

	x	y	z
x	8.251	-2.439	0.000
y	-2.439	11.720	0.000
z	0.000	0.000	6.455

<r²>	214.579
(<r²>)^1/2	14.649

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)