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	hartrees
Energy at 0K	-264.404310
Energy at 298.15K	-264.408158
HF Energy	-264.404310
Nuclear repulsion energy	179.133040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3054	2957	0.00
2	A_g	2334	2260	0.00
3	A_g	1478	1431	0.00
4	A_g	1372	1329	0.00
5	A_g	1013	981	0.00
6	A_g	962	932	0.00
7	A_g	514	497	0.00
8	A_g	218	211	0.00
9	A_u	3109	3011	0.77
10	A_u	1206	1168	0.01
11	A_u	763	739	2.38
12	A_u	395	382	0.04
13	A_u	75	73	21.64
14	B_g	3090	2992	0.00
15	B_g	1315	1273	0.00
16	B_g	1035	1002	0.00
17	B_g	358	346	0.00
18	B_u	3064	2967	2.62
19	B_u	2336	2262	9.18
20	B_u	1487	1440	13.79
21	B_u	1287	1246	2.87
22	B_u	928	899	3.50
23	B_u	523	506	1.33
24	B_u	127	123	22.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.645	0.000
C2	-0.425	-0.645	0.000
C3	-0.425	1.834	0.000
C4	0.425	-1.834	0.000
N5	1.117	-2.756	0.000
N6	-1.117	2.756	0.000
H7	1.069	0.675	0.881
H8	1.069	0.675	-0.881
H9	-1.069	-0.675	0.881
H10	-1.069	-0.675	-0.881

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5447	1.4628	2.4790	3.4700	2.6148	1.0911	1.0911	2.1791	2.1791
C2	1.5447		2.4790	1.4628	2.6148	3.4700	2.1791	2.1791	1.0911	1.0911
C3	1.4628	2.4790		3.7662	4.8425	1.1522	2.0865	2.0865	2.7358	2.7358
C4	2.4790	1.4628	3.7662		1.1522	4.8425	2.7358	2.7358	2.0865	2.0865
N5	3.4700	2.6148	4.8425	1.1522		5.9473	3.5420	3.5420	3.1441	3.1441
N6	2.6148	3.4700	1.1522	4.8425	5.9473		3.1441	3.1441	3.5420	3.5420
H7	1.0911	2.1791	2.0865	2.7358	3.5420	3.1441		1.7619	2.5273	3.0809
H8	1.0911	2.1791	2.0865	2.7358	3.5420	3.1441	1.7619		3.0809	2.5273
H9	2.1791	1.0911	2.7358	2.0865	3.1441	3.5420	2.5273	3.0809		1.7619
H10	2.1791	1.0911	2.7358	2.0865	3.1441	3.5420	3.0809	2.5273	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.002	C1	C2	H9	110.339
C1	C2	H10	110.339	C1	C3	N6	178.670
C2	C1	C3	111.002	C2	C1	H7	110.339
C2	C1	H8	110.339	C2	C4	N5	178.670
C3	C1	H7	108.697	C3	C1	H8	108.697
C4	C2	H9	108.697	C4	C2	H10	108.697
H7	C1	H8	107.680	H9	C2	H10	107.680

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: TPSSh/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	-0.086
2	C	-0.086
3	C	-0.095
4	C	-0.095
5	N	-0.061
6	N	-0.061
7	H	0.121
8	H	0.121
9	H	0.121
10	H	0.121

	x	y	z
x	7.222	-2.269	0.000
y	-2.269	10.305	0.000
z	0.000	0.000	5.499

<r²>	209.266
(<r²>)^1/2	14.466

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)