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	hartrees
Energy at 0K	-264.240358
Energy at 298.15K	-264.244266
Nuclear repulsion energy	179.003385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3097	2948	0.00
2	A_g	2394	2279	0.00
3	A_g	1476	1405	0.00
4	A_g	1396	1328	0.00
5	A_g	1050	999	0.00
6	A_g	982	935	0.00
7	A_g	520	495	0.00
8	A_g	224	213	0.00
9	A_u	3162	3010	0.01
10	A_u	1217	1158	0.01
11	A_u	774	737	3.41
12	A_u	408	388	0.00
13	A_u	81	77	22.94
14	B_g	3144	2993	0.00
15	B_g	1322	1259	0.00
16	B_g	1038	988	0.00
17	B_g	369	351	0.00
18	B_u	3106	2956	1.42
19	B_u	2396	2280	15.64
20	B_u	1481	1410	18.65
21	B_u	1297	1234	1.54
22	B_u	952	906	4.88
23	B_u	532	506	2.19
24	B_u	131	125	23.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.770	0.000
C2	0.000	-0.770	0.000
C3	-1.361	1.299	0.000
C4	1.361	-1.299	0.000
N5	2.446	-1.704	0.000
N6	-2.446	1.704	0.000
H7	0.525	1.150	0.881
H8	0.525	1.150	-0.881
H9	-0.525	-1.150	0.881
H10	-0.525	-1.150	-0.881

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5407	1.4595	2.4762	3.4788	2.6177	1.0934	1.0934	2.1770	2.1770
C2	1.5407		2.4762	1.4595	2.6177	3.4788	2.1770	2.1770	1.0934	1.0934
C3	1.4595	2.4762		3.7616	4.8478	1.1583	2.0863	2.0863	2.7332	2.7332
C4	2.4762	1.4595	3.7616		1.1583	4.8478	2.7332	2.7332	2.0863	2.0863
N5	3.4788	2.6177	4.8478	1.1583		5.9611	3.5510	3.5510	3.1474	3.1474
N6	2.6177	3.4788	1.1583	4.8478	5.9611		3.1474	3.1474	3.5510	3.5510
H7	1.0934	2.1770	2.0863	2.7332	3.5510	3.1474		1.7618	2.5282	3.0815
H8	1.0934	2.1770	2.0863	2.7332	3.5510	3.1474	1.7618		3.0815	2.5282
H9	2.1770	1.0934	2.7332	2.0863	3.1474	3.5510	2.5282	3.0815		1.7618
H10	2.1770	1.0934	2.7332	2.0863	3.1474	3.5510	3.0815	2.5282	1.7618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.218	C1	C2	H9	110.318
C1	C2	H10	110.318	C1	C3	N6	179.251
C2	C1	C3	111.218	C2	C1	H7	110.318
C2	C1	H8	110.318	C2	C4	N5	179.251
C3	C1	H7	108.768	C3	C1	H8	108.768
C4	C2	H9	108.768	C4	C2	H10	108.768
H7	C1	H8	107.346	H9	C2	H10	107.346

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: mPW1PW91/6-31+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	-0.057
2	C	-0.057
3	C	0.035
4	C	0.035
5	N	-0.450
6	N	-0.450
7	H	0.236
8	H	0.236
9	H	0.236
10	H	0.236

<r²>	210.031
(<r²>)^1/2	14.492

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)