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	hartrees
Energy at 0K	-264.185342
Energy at 298.15K	-264.189216
HF Energy	-263.849011
Nuclear repulsion energy	179.203586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3082	2957	0.00
2	A_g	2295	2202	0.00
3	A_g	1486	1426	0.00
4	A_g	1392	1335	0.00
5	A_g	1034	992	0.00
6	A_g	971	932	0.00
7	A_g	514	493	0.00
8	A_g	221	212	0.00
9	A_u	3140	3012	0.33
10	A_u	1221	1172	0.00
11	A_u	776	745	2.51
12	A_u	394	378	0.10
13	A_u	78	75	21.54
14	B_g	3121	2994	0.00
15	B_g	1327	1274	0.00
16	B_g	1046	1003	0.00
17	B_g	354	340	0.00
18	B_u	3092	2966	2.04
19	B_u	2297	2204	1.80
20	B_u	1495	1434	14.44
21	B_u	1302	1249	2.30
22	B_u	934	896	3.94
23	B_u	523	502	0.81
24	B_u	130	124	22.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.424	0.643	0.000
C2	-0.424	-0.643	0.000
C3	-0.424	1.829	0.000
C4	0.424	-1.829	0.000
N5	1.122	-2.753	0.000
N6	-1.122	2.753	0.000
H7	1.068	0.667	0.878
H8	1.068	0.667	-0.878
H9	-1.068	-0.667	0.878
H10	-1.068	-0.667	-0.878

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5403	1.4590	2.4720	3.4670	2.6164	1.0888	1.0888	2.1713	2.1713
C2	1.5403		2.4720	1.4590	2.6164	3.4670	2.1713	2.1713	1.0888	1.0888
C3	1.4590	2.4720		3.7558	4.8366	1.1576	2.0852	2.0852	2.7238	2.7238
C4	2.4720	1.4590	3.7558		1.1576	4.8366	2.7238	2.7238	2.0852	2.0852
N5	3.4670	2.6164	4.8366	1.1576		5.9463	3.5322	3.5322	3.1491	3.1491
N6	2.6164	3.4670	1.1576	4.8366	5.9463		3.1491	3.1491	3.5322	3.5322
H7	1.0888	2.1713	2.0852	2.7238	3.5322	3.1491		1.7555	2.5191	3.0704
H8	1.0888	2.1713	2.0852	2.7238	3.5322	3.1491	1.7555		3.0704	2.5191
H9	2.1713	1.0888	2.7238	2.0852	3.1491	3.5322	2.5191	3.0704		1.7555
H10	2.1713	1.0888	2.7238	2.0852	3.1491	3.5322	3.0704	2.5191	1.7555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.985	C1	C2	H9	110.170
C1	C2	H10	110.170	C1	C3	N6	178.545
C2	C1	C3	110.985	C2	C1	H7	110.170
C2	C1	H8	110.170	C2	C4	N5	178.545
C3	C1	H7	108.993	C3	C1	H8	108.993
C4	C2	H9	108.993	C4	C2	H10	108.993
H7	C1	H8	107.448	H9	C2	H10	107.448

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B2PLYP/cc-pVTZ

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	-0.151
2	C	-0.151
3	C	-0.097
4	C	-0.097
5	N	-0.060
6	N	-0.060
7	H	0.154
8	H	0.154
9	H	0.154
10	H	0.154

	x	y	z
x	7.093	-2.123	0.000
y	-2.123	9.925	0.000
z	0.000	0.000	5.459

<r²>	209.471
(<r²>)^1/2	14.473

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)