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	hartrees
Energy at 0K	-264.210161
Energy at 298.15K	-264.214064
Nuclear repulsion energy	178.552333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3070	2963	0.00
2	A_g	2375	2292	0.00
3	A_g	1439	1389	0.00
4	A_g	1373	1325	0.00
5	A_g	1047	1011	0.00
6	A_g	977	943	0.00
7	A_g	519	501	0.00
8	A_g	225	217	0.00
9	A_u	3135	3025	0.02
10	A_u	1192	1151	0.00
11	A_u	767	740	3.96
12	A_u	408	393	0.00
13	A_u	80	77	19.50
14	B_g	3117	3008	0.00
15	B_g	1299	1253	0.00
16	B_g	1018	982	0.00
17	B_g	367	354	0.00
18	B_u	3078	2971	1.93
19	B_u	2376	2293	11.13
20	B_u	1445	1394	16.23
21	B_u	1269	1224	2.91
22	B_u	952	919	3.81
23	B_u	529	511	1.48
24	B_u	131	127	20.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.771	0.000
C2	0.000	-0.771	0.000
C3	-1.359	1.306	0.000
C4	1.359	-1.306	0.000
N5	2.446	-1.716	0.000
N6	-2.446	1.716	0.000
H7	0.531	1.153	0.886
H8	0.531	1.153	-0.886
H9	-0.531	-1.153	0.886
H10	-0.531	-1.153	-0.886

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5415	1.4610	2.4822	3.4881	2.6223	1.1013	1.1013	2.1834	2.1834
C2	1.5415		2.4822	1.4610	2.6223	3.4881	2.1834	2.1834	1.1013	1.1013
C3	1.4610	2.4822		3.7703	4.8594	1.1614	2.0931	2.0931	2.7420	2.7420
C4	2.4822	1.4610	3.7703		1.1614	4.8594	2.7420	2.7420	2.0931	2.0931
N5	3.4881	2.6223	4.8594	1.1614		5.9758	3.5614	3.5614	3.1565	3.1565
N6	2.6223	3.4881	1.1614	4.8594	5.9758		3.1565	3.1565	3.5614	3.5614
H7	1.1013	2.1834	2.0931	2.7420	3.5614	3.1565		1.7721	2.5384	3.0958
H8	1.1013	2.1834	2.0931	2.7420	3.5614	3.1565	1.7721		3.0958	2.5384
H9	2.1834	1.1013	2.7420	2.0931	3.1565	3.5614	2.5384	3.0958		1.7721
H10	2.1834	1.1013	2.7420	2.0931	3.1565	3.5614	3.0958	2.5384	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.494	C1	C2	H9	110.305
C1	C2	H10	110.305	C1	C3	N6	179.166
C2	C1	C3	111.494	C2	C1	H7	110.305
C2	C1	H8	110.305	C2	C4	N5	179.166
C3	C1	H7	108.738	C3	C1	H8	108.738
C4	C2	H9	108.738	C4	C2	H10	108.738
H7	C1	H8	107.138	H9	C2	H10	107.138

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3PW91/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	-0.020
2	C	-0.020
3	C	-0.081
4	C	-0.081
5	N	-0.120
6	N	-0.120
7	H	0.111
8	H	0.111
9	H	0.111
10	H	0.111

<r²>	210.116
(<r²>)^1/2	14.495

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)