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	hartrees
Energy at 0K	-264.316657
Energy at 298.15K	-264.320542
Nuclear repulsion energy	178.191380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3057	2965	0.00
2	A_g	2365	2294	0.00
3	A_g	1443	1400	0.00
4	A_g	1373	1332	0.00
5	A_g	1031	1000	0.00
6	A_g	970	941	0.00
7	A_g	514	499	0.00
8	A_g	225	218	0.00
9	A_u	3114	3021	0.69
10	A_u	1196	1160	0.00
11	A_u	769	746	3.08
12	A_u	405	393	0.00
13	A_u	79	77	19.04
14	B_g	3096	3003	0.00
15	B_g	1301	1262	0.00
16	B_g	1024	993	0.00
17	B_g	364	353	0.00
18	B_u	3064	2972	3.08
19	B_u	2367	2296	8.28
20	B_u	1450	1407	13.29
21	B_u	1276	1238	4.04
22	B_u	939	911	4.79
23	B_u	526	510	1.39
24	B_u	131	127	19.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.774	0.000
C2	0.000	-0.774	0.000
C3	-1.364	1.311	0.000
C4	1.364	-1.311	0.000
N5	2.451	-1.720	0.000
N6	-2.451	1.720	0.000
H7	0.532	1.154	0.887
H8	0.532	1.154	-0.887
H9	-0.532	-1.154	0.887
H10	-0.532	-1.154	-0.887

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5476	1.4660	2.4913	3.4964	2.6271	1.1016	1.1016	2.1878	2.1878
C2	1.5476		2.4913	1.4660	2.6271	3.4964	2.1878	2.1878	1.1016	1.1016
C3	1.4660	2.4913		3.7837	4.8723	1.1612	2.0988	2.0988	2.7488	2.7488
C4	2.4913	1.4660	3.7837		1.1612	4.8723	2.7488	2.7488	2.0988	2.0988
N5	3.4964	2.6271	4.8723	1.1612		5.9882	3.5678	3.5678	3.1627	3.1627
N6	2.6271	3.4964	1.1612	4.8723	5.9882		3.1627	3.1627	3.5678	3.5678
H7	1.1016	2.1878	2.0988	2.7488	3.5678	3.1627		1.7731	2.5419	3.0992
H8	1.1016	2.1878	2.0988	2.7488	3.5678	3.1627	1.7731		3.0992	2.5419
H9	2.1878	1.1016	2.7488	2.0988	3.1627	3.5678	2.5419	3.0992		1.7731
H10	2.1878	1.1016	2.7488	2.0988	3.1627	3.5678	3.0992	2.5419	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.493	C1	C2	H9	110.208
C1	C2	H10	110.208	C1	C3	N6	179.122
C2	C1	C3	111.493	C2	C1	H7	110.208
C2	C1	H8	110.208	C2	C4	N5	179.122
C3	C1	H7	108.823	C3	C1	H8	108.823
C4	C2	H9	108.823	C4	C2	H10	108.823
H7	C1	H8	107.171	H9	C2	H10	107.171

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYP/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	0.039
2	C	0.039
3	C	-0.123
4	C	-0.123
5	N	-0.084
6	N	-0.084
7	H	0.084
8	H	0.084
9	H	0.084
10	H	0.084

	x	y	z
x	9.390	-2.186	0.000
y	-2.186	6.497	0.000
z	0.000	0.000	4.864

<r²>	211.101
(<r²>)^1/2	14.529

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)