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	hartrees
Energy at 0K	-264.244663
Energy at 298.15K	-264.248594
Nuclear repulsion energy	178.887397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3090	2962	0.00
2	A_g	2398	2298	0.00
3	A_g	1447	1387	0.00
4	A_g	1384	1326	0.00
5	A_g	1058	1014	0.00
6	A_g	985	944	0.00
7	A_g	524	502	0.00
8	A_g	227	217	0.00
9	A_u	3156	3025	0.00
10	A_u	1199	1149	0.01
11	A_u	770	738	4.00
12	A_u	411	394	0.00
13	A_u	81	77	19.70
14	B_g	3138	3007	0.00
15	B_g	1307	1252	0.00
16	B_g	1024	981	0.00
17	B_g	371	355	0.00
18	B_u	3098	2969	1.60
19	B_u	2399	2299	11.95
20	B_u	1453	1392	16.47
21	B_u	1275	1222	2.88
22	B_u	960	920	4.18
23	B_u	534	511	1.32
24	B_u	132	127	20.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.769	0.000
C2	0.000	-0.769	0.000
C3	-1.358	1.302	0.000
C4	1.358	-1.302	0.000
N5	2.444	-1.709	0.000
N6	-2.444	1.709	0.000
H7	0.529	1.151	0.885
H8	0.529	1.151	-0.885
H9	-0.529	-1.151	0.885
H10	-0.529	-1.151	-0.885

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5381	1.4592	2.4767	3.4800	2.6181	1.0995	1.0995	2.1795	2.1795
C2	1.5381		2.4767	1.4592	2.6181	3.4800	2.1795	2.1795	1.0995	1.0995
C3	1.4592	2.4767		3.7631	4.8497	1.1589	2.0902	2.0902	2.7364	2.7364
C4	2.4767	1.4592	3.7631		1.1589	4.8497	2.7364	2.7364	2.0902	2.0902
N5	3.4800	2.6181	4.8497	1.1589		5.9635	3.5534	3.5534	3.1514	3.1514
N6	2.6181	3.4800	1.1589	4.8497	5.9635		3.1514	3.1514	3.5534	3.5534
H7	1.0995	2.1795	2.0902	2.7364	3.5534	3.1514		1.7698	2.5338	3.0907
H8	1.0995	2.1795	2.0902	2.7364	3.5534	3.1514	1.7698		3.0907	2.5338
H9	2.1795	1.0995	2.7364	2.0902	3.1514	3.5534	2.5338	3.0907		1.7698
H10	2.1795	1.0995	2.7364	2.0902	3.1514	3.5534	3.0907	2.5338	1.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.413	C1	C2	H9	110.332
C1	C2	H10	110.332	C1	C3	N6	179.135
C2	C1	C3	111.413	C2	C1	H7	110.332
C2	C1	H8	110.332	C2	C4	N5	179.135
C3	C1	H7	108.732	C3	C1	H8	108.732
C4	C2	H9	108.732	C4	C2	H10	108.732
H7	C1	H8	107.182	H9	C2	H10	107.182

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: mPW1PW91/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	-0.019
2	C	-0.019
3	C	-0.077
4	C	-0.077
5	N	-0.125
6	N	-0.125
7	H	0.111
8	H	0.111
9	H	0.111
10	H	0.111

<r²>	209.386
(<r²>)^1/2	14.470

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)