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	hartrees
Energy at 0K	-264.022826
Energy at 298.15K	-264.026720
HF Energy	-264.022826
Nuclear repulsion energy	178.997417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3089	2950	0.00
2	A_g	2391	2283	0.00
3	A_g	1470	1403	0.00
4	A_g	1390	1327	0.00
5	A_g	1050	1003	0.00
6	A_g	982	937	0.00
7	A_g	521	497	0.00
8	A_g	222	212	0.00
9	A_u	3154	3012	0.01
10	A_u	1211	1156	0.01
11	A_u	772	737	3.39
12	A_u	406	388	0.00
13	A_u	79	76	22.90
14	B_g	3136	2995	0.00
15	B_g	1317	1258	0.00
16	B_g	1033	986	0.00
17	B_g	367	351	0.00
18	B_u	3099	2959	1.42
19	B_u	2392	2284	15.88
20	B_u	1475	1408	18.72
21	B_u	1291	1232	1.49
22	B_u	953	910	4.56
23	B_u	531	507	2.13
24	B_u	130	124	23.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.642	0.000
C2	-0.425	-0.642	0.000
C3	-0.425	1.831	0.000
C4	0.425	-1.831	0.000
N5	1.113	-2.761	0.000
N6	-1.113	2.761	0.000
H7	1.070	0.673	0.883
H8	1.070	0.673	-0.883
H9	-1.070	-0.673	0.883
H10	-1.070	-0.673	-0.883

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5395	1.4612	2.4730	3.4724	2.6187	1.0941	1.0941	2.1778	2.1778
C2	1.5395		2.4730	1.4612	2.6187	3.4724	2.1778	2.1778	1.0941	1.0941
C3	1.4612	2.4730		3.7592	4.8431	1.1576	2.0870	2.0870	2.7322	2.7322
C4	2.4730	1.4612	3.7592		1.1576	4.8431	2.7322	2.7322	2.0870	2.0870
N5	3.4724	2.6187	4.8431	1.1576		5.9549	3.5461	3.5461	3.1480	3.1480
N6	2.6187	3.4724	1.1576	4.8431	5.9549		3.1480	3.1480	3.5461	3.5461
H7	1.0941	2.1778	2.0870	2.7322	3.5461	3.1480		1.7655	2.5283	3.0837
H8	1.0941	2.1778	2.0870	2.7322	3.5461	3.1480	1.7655		3.0837	2.5283
H9	2.1778	1.0941	2.7322	2.0870	3.1480	3.5461	2.5283	3.0837		1.7655
H10	2.1778	1.0941	2.7322	2.0870	3.1480	3.5461	3.0837	2.5283	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.975	C1	C2	H9	110.427
C1	C2	H10	110.427	C1	C3	N6	179.034
C2	C1	C3	110.975	C2	C1	H7	110.427
C2	C1	H8	110.427	C2	C4	N5	179.034
C3	C1	H7	108.668	C3	C1	H8	108.668
C4	C2	H9	108.668	C4	C2	H10	108.668
H7	C1	H8	107.583	H9	C2	H10	107.583

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: HSEh1PBE/6-31+G**

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	-0.078
2	C	-0.078
3	C	0.070
4	C	0.070
5	N	-0.460
6	N	-0.460
7	H	0.234
8	H	0.234
9	H	0.234
10	H	0.234

	x	y	z
x	7.265	-2.498	0.000
y	-2.498	10.294	0.000
z	0.000	0.000	5.452

<r²>	209.924
(<r²>)^1/2	14.489

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)