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	hartrees
Energy at 0K	-262.775545
Energy at 298.15K	-262.779794
Nuclear repulsion energy	178.941563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3097	2956	0.00
2	A_g	2380	2272	0.00
3	A_g	1530	1460	0.00
4	A_g	1409	1345	0.00
5	A_g	1037	990	0.00
6	A_g	999	954	0.00
7	A_g	555	530	0.00
8	A_g	262	250	0.00
9	A_u	3159	3016	0.06
10	A_u	1291	1233	0.07
11	A_u	802	765	5.38
12	A_u	487	465	1.06
13	A_u	87	83	18.23
14	B_g	3138	2995	0.00
15	B_g	1373	1310	0.00
16	B_g	1078	1029	0.00
17	B_g	448	428	0.00
18	B_u	3107	2966	1.40
19	B_u	2382	2274	3.53
20	B_u	1529	1459	28.46
21	B_u	1350	1289	6.70
22	B_u	957	914	5.60
23	B_u	596	568	5.05
24	B_u	149	143	17.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.777	0.000
C2	0.000	-0.777	0.000
C3	-1.359	1.290	0.000
C4	1.359	-1.290	0.000
N5	2.447	-1.698	0.000
N6	-2.447	1.698	0.000
H7	0.529	1.144	0.886
H8	0.529	1.144	-0.886
H9	-0.529	-1.144	0.886
H10	-0.529	-1.144	-0.886

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5534	1.4526	2.4736	3.4803	2.6148	1.0954	1.0954	2.1804	2.1804
C2	1.5534		2.4736	1.4526	2.6148	3.4803	2.1804	2.1804	1.0954	1.0954
C3	1.4526	2.4736		3.7476	4.8389	1.1622	2.0905	2.0905	2.7202	2.7202
C4	2.4736	1.4526	3.7476		1.1622	4.8389	2.7202	2.7202	2.0905	2.0905
N5	3.4803	2.6148	4.8389	1.1622		5.9571	3.5414	3.5414	3.1543	3.1543
N6	2.6148	3.4803	1.1622	4.8389	5.9571		3.1543	3.1543	3.5414	3.5414
H7	1.0954	2.1804	2.0905	2.7202	3.5414	3.1543		1.7721	2.5209	3.0814
H8	1.0954	2.1804	2.0905	2.7202	3.5414	3.1543	1.7721		3.0814	2.5209
H9	2.1804	1.0954	2.7202	2.0905	3.1543	3.5414	2.5209	3.0814		1.7721
H10	2.1804	1.0954	2.7202	2.0905	3.1543	3.5414	3.0814	2.5209	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.706	C1	C2	H9	109.594
C1	C2	H10	109.594	C1	C3	N6	179.832
C2	C1	C3	110.706	C2	C1	H7	109.594
C2	C1	H8	109.594	C2	C4	N5	179.832
C3	C1	H7	109.462	C3	C1	H8	109.462
C4	C2	H9	109.462	C4	C2	H10	109.462
H7	C1	H8	107.974	H9	C2	H10	107.974

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: mPW1PW91/3-21G

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	-0.491
2	C	-0.491
3	C	0.368
4	C	0.368
5	N	-0.484
6	N	-0.484
7	H	0.303
8	H	0.303
9	H	0.303
10	H	0.303

<r²>	208.935
(<r²>)^1/2	14.455

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)