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	hartrees
Energy at 0K	-264.217890
Energy at 298.15K	-264.221674
HF Energy	-264.217890
Nuclear repulsion energy	178.683681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3008	2965	0.00
2	A_g	2292	2259	0.00
3	A_g	1444	1423	0.00
4	A_g	1349	1329	0.00
5	A_g	989	975	0.00
6	A_g	950	936	0.00
7	A_g	506	499	0.00
8	A_g	216	213	0.00
9	A_u	3064	3020	1.39
10	A_u	1191	1174	0.00
11	A_u	758	747	2.69
12	A_u	388	383	0.01
13	A_u	71	70	21.60
14	B_g	3045	3001	0.00
15	B_g	1292	1274	0.00
16	B_g	1014	1000	0.00
17	B_g	349	344	0.00
18	B_u	3019	2975	4.47
19	B_u	2294	2261	8.35
20	B_u	1452	1431	16.23
21	B_u	1269	1251	1.50
22	B_u	918	905	2.67
23	B_u	519	512	2.24
24	B_u	127	125	21.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.649	0.000
C2	-0.425	-0.649	0.000
C3	-0.425	1.836	0.000
C4	0.425	-1.836	0.000
N5	1.123	-2.762	0.000
N6	-1.123	2.762	0.000
H7	1.074	0.673	0.882
H8	1.074	0.673	-0.882
H9	-1.074	-0.673	0.882
H10	-1.074	-0.673	-0.882

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5520	1.4592	2.4850	3.4820	2.6190	1.0958	1.0958	2.1847	2.1847
C2	1.5520		2.4850	1.4592	2.6190	3.4820	2.1847	2.1847	1.0958	1.0958
C3	1.4592	2.4850		3.7684	4.8512	1.1600	2.0925	2.0925	2.7370	2.7370
C4	2.4850	1.4592	3.7684		1.1600	4.8512	2.7370	2.7370	2.0925	2.0925
N5	3.4820	2.6190	4.8512	1.1600		5.9631	3.5463	3.5463	3.1579	3.1579
N6	2.6190	3.4820	1.1600	4.8512	5.9631		3.1579	3.1579	3.5463	3.5463
H7	1.0958	2.1847	2.0925	2.7370	3.5463	3.1579		1.7650	2.5346	3.0886
H8	1.0958	2.1847	2.0925	2.7370	3.5463	3.1579	1.7650		3.0886	2.5346
H9	2.1847	1.0958	2.7370	2.0925	3.1579	3.5463	2.5346	3.0886		1.7650
H10	2.1847	1.0958	2.7370	2.0925	3.1579	3.5463	3.0886	2.5346	1.7650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.192	C1	C2	H9	110.004
C1	C2	H10	110.004	C1	C3	N6	178.596
C2	C1	C3	111.192	C2	C1	H7	110.004
C2	C1	H8	110.004	C2	C4	N5	178.596
C3	C1	H7	109.135	C3	C1	H8	109.135
C4	C2	H9	109.135	C4	C2	H10	109.135
H7	C1	H8	107.280	H9	C2	H10	107.280

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B97D3/TZVP

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	-0.269
2	C	-0.269
3	C	-0.006
4	C	-0.006
5	N	-0.066
6	N	-0.066
7	H	0.171
8	H	0.171
9	H	0.171
10	H	0.171

	x	y	z
x	7.307	-2.584	0.000
y	-2.584	10.470	0.000
z	0.000	0.000	5.404

<r²>	210.250
(<r²>)^1/2	14.500

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)