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	hartrees
Energy at 0K	-264.368155
Energy at 298.15K	-264.372080
Nuclear repulsion energy	179.037518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3061	2957	0.00
2	A_g	2365	2285	0.00
3	A_g	1488	1437	0.00
4	A_g	1396	1349	0.00
5	A_g	1023	989	0.00
6	A_g	973	941	0.00
7	A_g	519	501	0.00
8	A_g	228	220	0.00
9	A_u	3112	3008	2.66
10	A_u	1234	1192	0.13
11	A_u	777	750	3.45
12	A_u	410	396	0.04
13	A_u	81	79	21.00
14	B_g	3093	2989	0.00
15	B_g	1335	1290	0.00
16	B_g	1048	1012	0.00
17	B_g	371	359	0.00
18	B_u	3070	2967	5.25
19	B_u	2366	2286	8.09
20	B_u	1496	1445	16.94
21	B_u	1310	1266	1.64
22	B_u	935	903	5.76
23	B_u	537	519	1.21
24	B_u	135	130	21.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.774	0.000
C2	0.000	-0.774	0.000
C3	-1.360	1.307	0.000
C4	1.360	-1.307	0.000
N5	2.439	-1.711	0.000
N6	-2.439	1.711	0.000
H7	0.530	1.151	0.878
H8	0.530	1.151	-0.878
H9	-0.530	-1.151	0.878
H10	-0.530	-1.151	-0.878

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5476	1.4608	2.4861	3.4820	2.6129	1.0931	1.0931	2.1808	2.1808
C2	1.5476		2.4861	1.4608	2.6129	3.4820	2.1808	2.1808	1.0931	1.0931
C3	1.4608	2.4861		3.7728	4.8522	1.1522	2.0902	2.0902	2.7388	2.7388
C4	2.4861	1.4608	3.7728		1.1522	4.8522	2.7388	2.7388	2.0902	2.0902
N5	3.4820	2.6129	4.8522	1.1522		5.9589	3.5504	3.5504	3.1468	3.1468
N6	2.6129	3.4820	1.1522	4.8522	5.9589		3.1468	3.1468	3.5504	3.5504
H7	1.0931	2.1808	2.0902	2.7388	3.5504	3.1468		1.7568	2.5338	3.0833
H8	1.0931	2.1808	2.0902	2.7388	3.5504	3.1468	1.7568		3.0833	2.5338
H9	2.1808	1.0931	2.7388	2.0902	3.1468	3.5504	2.5338	3.0833		1.7568
H10	2.1808	1.0931	2.7388	2.0902	3.1468	3.5504	3.0833	2.5338	1.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.426	C1	C2	H9	110.162
C1	C2	H10	110.162	C1	C3	N6	179.100
C2	C1	C3	111.426	C2	C1	H7	110.162
C2	C1	H8	110.162	C2	C4	N5	179.100
C3	C1	H7	109.012	C3	C1	H8	109.012
C4	C2	H9	109.012	C4	C2	H10	109.012
H7	C1	H8	106.951	H9	C2	H10	106.951

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYP/6-311G*

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	ESP
1	C	-0.451	-0.106
2	C	-0.451	-0.074
3	C	0.105	0.307
4	C	0.105	0.298
5	N	-0.210	-0.422
6	N	-0.210	-0.424
7	H	0.278	0.108
8	H	0.278	0.108
9	H	0.278	0.102
10	H	0.278	0.102

	x	y	z
x	9.567	-2.205	0.000
y	-2.205	6.581	0.000
z	0.000	0.000	4.921

<r²>	209.991
(<r²>)^1/2	14.491

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)