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	hartrees
Energy at 0K	-264.301385
Energy at 298.15K	-264.305265
Nuclear repulsion energy	178.358617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3071	2942	0.00
2	A_g	2375	2275	0.00
3	A_g	1498	1435	0.00
4	A_g	1400	1341	0.00
5	A_g	1026	983	0.00
6	A_g	974	934	0.00
7	A_g	515	493	0.00
8	A_g	224	215	0.00
9	A_u	3127	2995	1.60
10	A_u	1224	1173	0.13
11	A_u	780	747	3.64
12	A_u	409	391	0.22
13	A_u	80	77	20.57
14	B_g	3108	2978	0.00
15	B_g	1328	1272	0.00
16	B_g	1051	1007	0.00
17	B_g	368	353	0.00
18	B_u	3080	2951	3.85
19	B_u	2376	2277	7.44
20	B_u	1505	1442	12.72
21	B_u	1309	1254	2.34
22	B_u	937	898	5.51
23	B_u	529	507	1.18
24	B_u	132	127	21.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.648	0.000
C2	-0.425	-0.648	0.000
C3	-0.425	1.842	0.000
C4	0.425	-1.842	0.000
N5	1.112	-2.777	0.000
N6	-1.112	2.777	0.000
H7	1.075	0.672	0.881
H8	1.075	0.672	-0.881
H9	-1.075	-0.672	0.881
H10	-1.075	-0.672	-0.881

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5499	1.4656	2.4901	3.4936	2.6259	1.0956	1.0956	2.1837	2.1837
C2	1.5499		2.4901	1.4656	2.6259	3.4936	2.1837	2.1837	1.0956	1.0956
C3	1.4656	2.4901		3.7809	4.8684	1.1603	2.0969	2.0969	2.7420	2.7420
C4	2.4901	1.4656	3.7809		1.1603	4.8684	2.7420	2.7420	2.0969	2.0969
N5	3.4936	2.6259	4.8684	1.1603		5.9832	3.5601	3.5601	3.1611	3.1611
N6	2.6259	3.4936	1.1603	4.8684	5.9832		3.1611	3.1611	3.5601	3.5601
H7	1.0956	2.1837	2.0969	2.7420	3.5601	3.1611		1.7630	2.5353	3.0880
H8	1.0956	2.1837	2.0969	2.7420	3.5601	3.1611	1.7630		3.0880	2.5353
H9	2.1837	1.0956	2.7420	2.0969	3.1611	3.5601	2.5353	3.0880		1.7630
H10	2.1837	1.0956	2.7420	2.0969	3.1611	3.5601	3.0880	2.5353	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.301	C1	C2	H9	110.087
C1	C2	H10	110.087	C1	C3	N6	179.164
C2	C1	C3	111.301	C2	C1	H7	110.087
C2	C1	H8	110.087	C2	C4	N5	179.164
C3	C1	H7	109.060	C3	C1	H8	109.060
C4	C2	H9	109.060	C4	C2	H10	109.060
H7	C1	H8	107.145	H9	C2	H10	107.145

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYPultrafine/6-31G*

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	-0.343
2	C	-0.343
3	C	0.356
4	C	0.356
5	N	-0.454
6	N	-0.454
7	H	0.221
8	H	0.221
9	H	0.221
10	H	0.221

	x	y	z
x	6.304	-2.360	0.000
y	-2.360	9.188	0.000
z	0.000	0.000	4.623

<r²>	210.837
(<r²>)^1/2	14.520

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)