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	hartrees
Energy at 0K	-264.033835
Energy at 298.15K	-264.037692
HF Energy	-263.755785
Nuclear repulsion energy	178.251203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3104	2947	0.00
2	A_g	2309	2192	0.00
3	A_g	1520	1443	0.00
4	A_g	1419	1347	0.00
5	A_g	1046	993	0.00
6	A_g	981	931	0.00
7	A_g	512	486	0.00
8	A_g	221	210	0.00
9	A_u	3164	3003	1.22
10	A_u	1236	1174	0.07
11	A_u	789	749	3.26
12	A_u	398	378	0.19
13	A_u	80	76	20.30
14	B_g	3146	2986	0.00
15	B_g	1344	1276	0.00
16	B_g	1064	1010	0.00
17	B_g	358	340	0.00
18	B_u	3113	2955	3.27
19	B_u	2311	2194	0.65
20	B_u	1527	1449	12.78
21	B_u	1322	1255	1.80
22	B_u	942	894	5.74
23	B_u	521	495	1.08
24	B_u	130	123	21.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.426	0.643	0.000
C2	-0.426	-0.643	0.000
C3	-0.426	1.838	0.000
C4	0.426	-1.838	0.000
N5	1.120	-2.773	0.000
N6	-1.120	2.773	0.000
H7	1.072	0.669	0.881
H8	1.072	0.669	-0.881
H9	-1.072	-0.669	0.881
H10	-1.072	-0.669	-0.881

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5433	1.4680	2.4813	3.4863	2.6322	1.0929	1.0929	2.1779	2.1779
C2	1.5433		2.4813	1.4680	2.6322	3.4863	2.1779	2.1779	1.0929	1.0929
C3	1.4680	2.4813		3.7738	4.8639	1.1643	2.0951	2.0951	2.7346	2.7346
C4	2.4813	1.4680	3.7738		1.1643	4.8639	2.7346	2.7346	2.0951	2.0951
N5	3.4863	2.6322	4.8639	1.1643		5.9819	3.5536	3.5536	3.1639	3.1639
N6	2.6322	3.4863	1.1643	4.8639	5.9819		3.1639	3.1639	3.5536	3.5536
H7	1.0929	2.1779	2.0951	2.7346	3.5536	3.1639		1.7626	2.5272	3.0812
H8	1.0929	2.1779	2.0951	2.7346	3.5536	3.1639	1.7626		3.0812	2.5272
H9	2.1779	1.0929	2.7346	2.0951	3.1639	3.5536	2.5272	3.0812		1.7626
H10	2.1779	1.0929	2.7346	2.0951	3.1639	3.5536	3.0812	2.5272	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.942	C1	C2	H9	110.244
C1	C2	H10	110.244	C1	C3	N6	178.971
C2	C1	C3	110.942	C2	C1	H7	110.244
C2	C1	H8	110.244	C2	C4	N5	178.971
C3	C1	H7	108.916	C3	C1	H8	108.916
C4	C2	H9	108.916	C4	C2	H10	108.916
H7	C1	H8	107.496	H9	C2	H10	107.496

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B2PLYP/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	-0.354
2	C	-0.354
3	C	0.340
4	C	0.340
5	N	-0.456
6	N	-0.456
7	H	0.235
8	H	0.235
9	H	0.235
10	H	0.235

	x	y	z
x	6.252	-2.296	0.000
y	-2.296	8.942	0.000
z	0.000	0.000	4.598

<r²>	210.982
(<r²>)^1/2	14.525

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)