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	hartrees
Energy at 0K	-264.274785
Energy at 298.15K	-264.278692
Nuclear repulsion energy	180.174910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3087	2955	0.00
2	A_g	2395	2292	0.00
3	A_g	1469	1406	0.00
4	A_g	1383	1323	0.00
5	A_g	1046	1001	0.00
6	A_g	978	936	0.00
7	A_g	523	501	0.00
8	A_g	223	213	0.00
9	A_u	3146	3011	0.04
10	A_u	1209	1157	0.01
11	A_u	767	734	3.39
12	A_u	404	387	0.12
13	A_u	77	73	22.18
14	B_g	3126	2992	0.00
15	B_g	1315	1258	0.00
16	B_g	1033	988	0.00
17	B_g	366	350	0.00
18	B_u	3097	2964	1.33
19	B_u	2396	2293	12.54
20	B_u	1477	1414	16.78
21	B_u	1287	1232	1.94
22	B_u	950	909	3.31
23	B_u	533	510	0.85
24	B_u	129	123	23.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.421	0.641	0.000
C2	-0.421	-0.641	0.000
C3	-0.421	1.823	0.000
C4	0.421	-1.823	0.000
N5	1.104	-2.745	0.000
N6	-1.104	2.745	0.000
H7	1.066	0.668	0.876
H8	1.066	0.668	-0.876
H9	-1.066	-0.668	0.876
H10	-1.066	-0.668	-0.876

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5342	1.4520	2.4640	3.4541	2.5990	1.0882	1.0882	2.1664	2.1664
C2	1.5342		2.4640	1.4520	2.5990	3.4541	2.1664	2.1664	1.0882	1.0882
C3	1.4520	2.4640		3.7424	4.8162	1.1471	2.0775	2.0775	2.7180	2.7180
C4	2.4640	1.4520	3.7424		1.1471	4.8162	2.7180	2.7180	2.0775	2.0775
N5	3.4541	2.5990	4.8162	1.1471		5.9175	3.5236	3.5236	3.1294	3.1294
N6	2.5990	3.4541	1.1471	4.8162	5.9175		3.1294	3.1294	3.5236	3.5236
H7	1.0882	2.1664	2.0775	2.7180	3.5236	3.1294		1.7523	2.5161	3.0662
H8	1.0882	2.1664	2.0775	2.7180	3.5236	3.1294	1.7523		3.0662	2.5161
H9	2.1664	1.0882	2.7180	2.0775	3.1294	3.5236	2.5161	3.0662		1.7523
H10	2.1664	1.0882	2.7180	2.0775	3.1294	3.5236	3.0662	2.5161	1.7523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.180	C1	C2	H9	110.252
C1	C2	H10	110.252	C1	C3	N6	178.972
C2	C1	C3	111.180	C2	C1	H7	110.252
C2	C1	H8	110.252	C2	C4	N5	178.972
C3	C1	H7	108.901	C3	C1	H8	108.901
C4	C2	H9	108.901	C4	C2	H10	108.901
H7	C1	H8	107.256	H9	C2	H10	107.256

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B1B95/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	-0.189
2	C	-0.189
3	C	-0.094
4	C	-0.094
5	N	-0.051
6	N	-0.051
7	H	0.167
8	H	0.167
9	H	0.167
10	H	0.167

	x	y	z
x	7.082	-2.171	0.000
y	-2.171	10.017	0.000
z	0.000	0.000	5.430

<r²>	207.166
(<r²>)^1/2	14.393

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)