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	hartrees
Energy at 0K	-262.780413
Energy at 298.15K	-262.784619
Nuclear repulsion energy	180.634141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3212	2923	0.00
2	A_g	2596	2362	0.00
3	A_g	1597	1454	0.00
4	A_g	1523	1386	0.00
5	A_g	1100	1001	0.00
6	A_g	1026	934	0.00
7	A_g	559	509	0.00
8	A_g	247	225	0.00
9	A_u	3269	2975	2.37
10	A_u	1315	1196	0.01
11	A_u	832	758	2.59
12	A_u	444	404	1.19
13	A_u	85	77	25.56
14	B_g	3248	2956	0.00
15	B_g	1427	1298	0.00
16	B_g	1138	1036	0.00
17	B_g	405	368	0.00
18	B_u	3219	2930	4.25
19	B_u	2596	2363	21.55
20	B_u	1606	1462	13.13
21	B_u	1408	1282	5.40
22	B_u	968	881	16.09
23	B_u	584	532	0.15
24	B_u	144	131	27.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.768	0.000
C2	0.000	-0.768	0.000
C3	-1.371	1.291	0.000
C4	1.371	-1.291	0.000
N5	2.429	-1.677	0.000
N6	-2.429	1.677	0.000
H7	0.512	1.147	0.873
H8	0.512	1.147	-0.873
H9	-0.512	-1.147	0.873
H10	-0.512	-1.147	-0.873

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5354	1.4676	2.4735	3.4468	2.5941	1.0809	1.0809	2.1659	2.1659
C2	1.5354		2.4735	1.4676	2.5941	3.4468	2.1659	2.1659	1.0809	1.0809
C3	1.4676	2.4735		3.7665	4.8224	1.1266	2.0807	2.0807	2.7285	2.7285
C4	2.4735	1.4676	3.7665		1.1266	4.8224	2.7285	2.7285	2.0807	2.0807
N5	3.4468	2.5941	4.8224	1.1266		5.9045	3.5237	3.5237	3.1138	3.1138
N6	2.5941	3.4468	1.1266	4.8224	5.9045		3.1138	3.1138	3.5237	3.5237
H7	1.0809	2.1659	2.0807	2.7285	3.5237	3.1138		1.7461	2.5124	3.0596
H8	1.0809	2.1659	2.0807	2.7285	3.5237	3.1138	1.7461		3.0596	2.5124
H9	2.1659	1.0809	2.7285	2.0807	3.1138	3.5237	2.5124	3.0596		1.7461
H10	2.1659	1.0809	2.7285	2.0807	3.1138	3.5237	3.0596	2.5124	1.7461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.890	C1	C2	H9	110.549
C1	C2	H10	110.549	C1	C3	N6	179.166
C2	C1	C3	110.890	C2	C1	H7	110.549
C2	C1	H8	110.549	C2	C4	N5	179.166
C3	C1	H7	108.508	C3	C1	H8	108.508
C4	C2	H9	108.508	C4	C2	H10	108.508
H7	C1	H8	107.743	H9	C2	H10	107.743

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: HF/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	CHELPG	AIM	ESP
1	C	-0.149	0.046	0.288	-0.081
2	C	-0.149	0.046	0.288	-0.071
3	C	-0.102	0.310	1.097	0.318
4	C	-0.102	0.310	1.097	0.314
5	N	-0.065	-0.470	-1.471	-0.459
6	N	-0.065	-0.470	-1.471	-0.461
7	H	0.158	0.057	0.040	0.111
8	H	0.158	0.057	0.040	0.111
9	H	0.158	0.057	0.040	0.109
10	H	0.158	0.057	0.040	0.109

	x	y	z
x	9.284	-1.927	0.000
y	-1.927	6.708	0.000
z	0.000	0.000	5.244

<r²>	207.776
(<r²>)^1/2	14.414

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)